3-(4-azanyl-5,6-dimethyl-7-pyridin-3-yl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(4-azanyl-5,6-dimethyl-7-pyridin-3-yl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propyl-dimethyl-azanium Openeye Name: 3-[4-amino-5,6-dimethyl-7-(3-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-amino-5,6-dimethyl-7-(3-pyridinyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-(4-amino-5,6-dimethyl-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propyl-dimethylazanium Traditional Name: 3-[4-amino-5,6-dimethyl-7-(3-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propyl-dimethyl-ammonium Formula: C18H26N6+2 MolecularWeight: 326.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCC[NH+](C)C)N)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCC[NH+](C)C)N)C3=CN=CC=C3)C

InChI

InChI=1S/C18H24N6/c1-13-14(2)24(15-7-5-8-20-11-15)18-16(13)17(19)23(12-21-18)10-6-9-22(3)4/h5,7-8,11-12,19H,6,9-10H2,1-4H3/p+2