N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-3H-benzimidazole-5-carboxamide Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H25N5O/c1-26(17-7-3-2-4-8-17)20-16(6-5-11-22-20)13-23-21(27)15-9-10-18-19(12-15)25-14-24-18/h5-6,9-12,14,17H,2-4,7-8,13H2,1H3,(H,23,27)(H,24,25)/p+1