3-[(2Z)-2-[(E)-3-[3,3-dimethyl-5-phenyl-7-[3-(trimethylazaniumyl)propyl]pyrrolo[2,3-b]pyridin-7-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-phenyl-pyrrolo[2,3-b]pyridin-7-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[(2Z)-2-[(E)-3-[3,3-dimethyl-5-phenyl-7-[3-(trimethylazaniumyl)propyl]pyrrolo[2,3-b]pyridin-7-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-phenyl-pyrrolo[2,3-b]pyridin-7-yl]propyl-trimethyl-azanium Openeye Name: 3-[(2Z)-2-[(E)-3-[3,3-dimethyl-5-phenyl-7-[3-(trimethylammonio)propyl]pyrrolo[2,3-b]pyridin-7-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-phenyl-pyrrolo[2,3-b]pyridin-7-yl]propyl-trimethyl-ammonium CAS Name: 3-[(2Z)-2-[(E)-3-[3,3-dimethyl-5-phenyl-7-[3-(trimethylammonio)propyl]-2-pyrrolo[2,3-b]pyridin-7-iumyl]prop-2-enylidene]-3,3-dimethyl-5-phenyl-7-pyrrolo[2,3-b]pyridinyl]propyl-trimethylammonium IUPAC Name: 3-[(2Z)-2-[(E)-3-[3,3-dimethyl-5-phenyl-7-[3-(trimethylazaniumyl)propyl]pyrrolo[2,3-b]pyridin-7-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-phenylpyrrolo[2,3-b]pyridin-7-yl]propyl-trimethylazanium Traditional Name: 3-[(2Z)-2-[(E)-3-[3,3-dimethyl-5-phenyl-7-[3-(trimethylammonio)propyl]pyrrolo[2,3-b]pyridin-7-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-phenyl-pyrrolo[2,3-b]pyridin-7-yl]propyl-trimethyl-ammonium Formula: C45H59N6+3 MolecularWeight: 683.99016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=CN(C2=NC1=CC=CC3=NC4=C(C3(C)C)C=C(C=[N+]4CCC[N+](C)(C)C)C5=CC=CC=C5)CCC[N+](C)(C)C)C6=CC=CC=C6)C

Isomeric SMILES

CC\1(C2=CC(=CN(C2=N/C1=C\C=C\C3=NC4=C(C3(C)C)C=C(C=[N+]4CCC[N+](C)(C)C)C5=CC=CC=C5)CCC[N+](C)(C)C)C6=CC=CC=C6)C

InChI

InChI=1S/C45H59N6/c1-44(2)38-30-36(34-20-13-11-14-21-34)32-48(26-18-28-50(5,6)7)42(38)46-40(44)24-17-25-41-45(3,4)39-31-37(35-22-15-12-16-23-35)33-49(43(39)47-41)27-19-29-51(8,9)10/h11-17,20-25,30-33H,18-19,26-29H2,1-10H3/q+3