2-methoxy-N-[1-phenethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzimidazol-5-yl]ethanamide

Systemtic Name: 2-methoxy-N-[1-phenethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzimidazol-5-yl]ethanamide Openeye Name: 2-methoxy-N-[1-phenethyl-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide CAS Name: 2-methoxy-N-[7-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-phenethyl-5-benzimidazolyl]acetamide IUPAC Name: 2-methoxy-N-[1-phenethyl-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide Traditional Name: 2-methoxy-N-[1-phenethyl-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide Formula: C28H31N6O3+ MolecularWeight: 499.58414

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)N(C=N2)CCC5=CC=CC=C5

Isomeric SMILES

COCC(=O)NC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)N(C=N2)CCC5=CC=CC=C5

InChI

InChI=1S/C28H30N6O3/c1-37-19-26(35)31-22-17-23(28(36)33-15-13-32(14-16-33)25-9-5-6-11-29-25)27-24(18-22)30-20-34(27)12-10-21-7-3-2-4-8-21/h2-9,11,17-18,20H,10,12-16,19H2,1H3,(H,31,35)/p+1