2-[2-(10-azanyldecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[2-(10-azanyldecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]ethanenitrile Openeye Name: 2-[2-(10-aminodecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]acetonitrile CAS Name: 2-[2-(10-aminodecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]acetonitrile IUPAC Name: 2-[2-(10-aminodecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]acetonitrile Traditional Name: 2-[2-(10-aminodecyl)-5,6-dimethyl-3H-benzimidazol-1-ium-1-yl]acetonitrile Formula: C21H33N4+ MolecularWeight: 341.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=C(N2)CCCCCCCCCCN)CC#N

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=C(N2)CCCCCCCCCCN)CC#N

InChI

InChI=1S/C21H32N4/c1-17-15-19-20(16-18(17)2)25(14-13-23)21(24-19)11-9-7-5-3-4-6-8-10-12-22/h15-16H,3-12,14,22H2,1-2H3/p+1