N-(4-phenylbutan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(4-phenylbutan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide CAS Name: N-(4-phenylbutan-2-yl)-2-(4-pyridin-1-iumyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-(4-phenylbutan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Formula: C23H23N4O+ MolecularWeight: 371.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=[NH+]C=C4

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C23H22N4O/c1-16(7-8-17-5-3-2-4-6-17)25-23(28)19-9-10-20-21(15-19)27-22(26-20)18-11-13-24-14-12-18/h2-6,9-16H,7-8H2,1H3,(H,25,28)(H,26,27)/p+1