2-methoxy-N-[3-methyl-2-phenyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzimidazol-4-yl]ethanamide

Systemtic Name: 2-methoxy-N-[3-methyl-2-phenyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzimidazol-4-yl]ethanamide Openeye Name: 2-methoxy-N-[3-methyl-2-phenyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide CAS Name: 2-methoxy-N-[3-methyl-6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-phenyl-4-benzimidazolyl]acetamide IUPAC Name: 2-methoxy-N-[3-methyl-2-phenyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide Traditional Name: 2-methoxy-N-[3-methyl-2-phenyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide Formula: C27H29N6O3+ MolecularWeight: 485.55756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2NC(=O)COC)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)N=C1C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2NC(=O)COC)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)N=C1C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O3/c1-31-25-21(29-24(34)18-36-2)16-20(17-22(25)30-26(31)19-8-4-3-5-9-19)27(35)33-14-12-32(13-15-33)23-10-6-7-11-28-23/h3-11,16-17H,12-15,18H2,1-2H3,(H,29,34)/p+1