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

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylamino)-1-(pyrazin-2-ylmethyl)pyrrolidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[2-(1H-benzimidazol-2-ylamino)-1-(pyrazin-2-ylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile CAS Name: 2-[2-(1H-benzimidazol-2-ylamino)-1-(2-pyrazinylmethyl)-1-pyrrolidin-1-iumyl]acetonitrile IUPAC Name: 2-[2-(1H-benzimidazol-2-ylamino)-1-(pyrazin-2-ylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[2-(1H-benzimidazol-2-ylamino)-1-(pyrazin-2-ylmethyl)pyrrolidin-1-ium-1-yl]acetonitrile Formula: C18H20N7+ MolecularWeight: 334.3983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(CC#N)CC2=NC=CN=C2)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CC([N+](C1)(CC#N)CC2=NC=CN=C2)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H20N7/c19-7-11-25(13-14-12-20-8-9-21-14)10-3-6-17(25)24-18-22-15-4-1-2-5-16(15)23-18/h1-2,4-5,8-9,12,17H,3,6,10-11,13H2,(H2,22,23,24)/q+1