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

Systemtic Name: 2-methoxy-N-[3-methyl-2-phenyl-6-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzimidazol-4-yl]ethanamide Openeye Name: 2-methoxy-N-[3-methyl-2-phenyl-6-[4-(3-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzimidazol-4-yl]acetamide CAS Name: 2-methoxy-N-[3-methyl-6-[oxo-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]-2-phenyl-4-benzimidazolyl]acetamide IUPAC Name: 2-methoxy-N-[3-methyl-2-phenyl-6-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbonyl]benzimidazol-4-yl]acetamide Traditional Name: 2-methoxy-N-[3-methyl-2-phenyl-6-[4-(3-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzimidazol-4-yl]acetamide Formula: C28H31N6O3+ MolecularWeight: 499.58414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2NC(=O)COC)C(=O)N3CC[NH+](CC3)CC4=CN=CC=C4)N=C1C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2NC(=O)COC)C(=O)N3CC[NH+](CC3)CC4=CN=CC=C4)N=C1C5=CC=CC=C5

InChI

InChI=1S/C28H30N6O3/c1-32-26-23(30-25(35)19-37-2)15-22(16-24(26)31-27(32)21-8-4-3-5-9-21)28(36)34-13-11-33(12-14-34)18-20-7-6-10-29-17-20/h3-10,15-17H,11-14,18-19H2,1-2H3,(H,30,35)/p+1