N-[6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]ethanamide

Systemtic Name: N-[6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]ethanamide Openeye Name: N-[6-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]-3-[2-(2-pyridyl)ethyl]benzimidazol-4-yl]acetamide CAS Name: N-[6-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-3-[2-(2-pyridinyl)ethyl]-4-benzimidazolyl]acetamide IUPAC Name: N-[6-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide Traditional Name: N-[6-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]-3-[2-(2-pyridyl)ethyl]benzimidazol-4-yl]acetamide Formula: C29H33N6O2+ MolecularWeight: 497.61132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=C3)NC(=O)C)N(C=N4)CCC5=CC=CC=N5

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=C3)NC(=O)C)N(C=N4)CCC5=CC=CC=N5

InChI

InChI=1S/C29H32N6O2/c1-21-6-5-7-23(16-21)19-33-12-14-34(15-13-33)29(37)24-17-26-28(27(18-24)32-22(2)36)35(20-31-26)11-9-25-8-3-4-10-30-25/h3-8,10,16-18,20H,9,11-15,19H2,1-2H3,(H,32,36)/p+1