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

Systemtic Name: 2-[1-(1H-benzimidazol-2-ylamino)-2-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[1-(1H-benzimidazol-2-ylamino)-2-(2-pyridylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile CAS Name: 2-[1-(1H-benzimidazol-2-ylamino)-2-(2-pyridinylmethyl)-1-pyrrolidin-1-iumyl]acetonitrile IUPAC Name: 2-[1-(1H-benzimidazol-2-ylamino)-2-(pyridin-2-ylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[1-(1H-benzimidazol-2-ylamino)-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)NC2=NC3=CC=CC=C3N2)CC4=CC=CC=N4

Isomeric SMILES

C1CC([N+](C1)(CC#N)NC2=NC3=CC=CC=C3N2)CC4=CC=CC=N4

InChI

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