N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-3-pyridin-3-yl-1,3-thiazol-3-ium-4-carboxamide

Systemtic Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-3-pyridin-3-yl-1,3-thiazol-3-ium-4-carboxamide Openeye Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-3-(3-pyridyl)thiazol-3-ium-4-carboxamide CAS Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-1-pyrrolidin-1-iumyl]-N-methyl-3-(3-pyridinyl)-4-thiazol-3-iumcarboxamide IUPAC Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-3-pyridin-3-yl-1,3-thiazol-3-ium-4-carboxamide Traditional Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-1-ium-1-yl]-N-methyl-3-(3-pyridyl)thiazol-3-ium-4-carboxamide Formula: C30H31N5O2S+2 MolecularWeight: 525.66444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CSC=[N+]1C2=CN=CC=C2)[N+]3(CCCC3)CCCOC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CN(C(=O)C1=CSC=[N+]1C2=CN=CC=C2)[N+]3(CCCC3)CCCOC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C30H31N5O2S/c1-33(30(36)29-22-38-23-34(29)27-6-4-15-32-21-27)35(16-2-3-17-35)18-5-19-37-28-13-11-26(12-14-28)25-9-7-24(20-31)8-10-25/h4,6-15,21-23H,2-3,5,16-19H2,1H3/q+2