N-(1-oxidanyl-4-phenyl-butan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-(1-oxidanyl-4-phenyl-butan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[1-(hydroxymethyl)-3-phenyl-propyl]-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide CAS Name: N-(1-hydroxy-4-phenylbutan-2-yl)-2-(4-pyridin-1-iumyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-(1-hydroxy-4-phenylbutan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-(1-methylol-3-phenyl-propyl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O2/c28-15-19(8-6-16-4-2-1-3-5-16)25-23(29)18-7-9-20-21(14-18)27-22(26-20)17-10-12-24-13-11-17/h1-5,7,9-14,19,28H,6,8,15H2,(H,25,29)(H,26,27)/p+1