2-[1-azanyl-2-(1H-benzimidazol-2-yl)-2-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[1-azanyl-2-(1H-benzimidazol-2-yl)-2-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[1-amino-2-(1H-benzimidazol-2-yl)-2-(2-pyridylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile CAS Name: 2-[1-amino-2-(1H-benzimidazol-2-yl)-2-(2-pyridinylmethyl)-1-pyrrolidin-1-iumyl]acetonitrile IUPAC Name: 2-[1-amino-2-(1H-benzimidazol-2-yl)-2-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[1-amino-2-(1H-benzimidazol-2-yl)-2-(2-pyridylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile Formula: C19H21N6+ MolecularWeight: 333.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(CC#N)N)(CC2=CC=CC=N2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CC([N+](C1)(CC#N)N)(CC2=CC=CC=N2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H21N6/c20-10-13-25(21)12-5-9-19(25,14-15-6-3-4-11-22-15)18-23-16-7-1-2-8-17(16)24-18/h1-4,6-8,11H,5,9,12-14,21H2,(H,23,24)/q+1