2-[2-(1H-benzimidazol-2-ylamino)-1-(quinolin-4-ylmethyl)piperidin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylamino)-1-(quinolin-4-ylmethyl)piperidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[2-(1H-benzimidazol-2-ylamino)-1-(4-quinolylmethyl)piperidin-1-ium-1-yl]acetonitrile CAS Name: 2-[2-(1H-benzimidazol-2-ylamino)-1-(4-quinolinylmethyl)-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[2-(1H-benzimidazol-2-ylamino)-1-(quinolin-4-ylmethyl)piperidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[2-(1H-benzimidazol-2-ylamino)-1-(4-quinolylmethyl)piperidin-1-ium-1-yl]acetonitrile Formula: C24H25N6+ MolecularWeight: 397.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)NC2=NC3=CC=CC=C3N2)(CC#N)CC4=CC=NC5=CC=CC=C45

Isomeric SMILES

C1CC[N+](C(C1)NC2=NC3=CC=CC=C3N2)(CC#N)CC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C24H25N6/c25-13-16-30(17-18-12-14-26-20-8-2-1-7-19(18)20)15-6-5-11-23(30)29-24-27-21-9-3-4-10-22(21)28-24/h1-4,7-10,12,14,23H,5-6,11,15-17H2,(H2,27,28,29)/q+1