6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)benzimidazole-4-carboxamide

Systemtic Name: 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)benzimidazole-4-carboxamide Openeye Name: 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)benzimidazole-4-carboxamide CAS Name: 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N-methyl-N-[3-(1-piperidin-1-iumyl)propyl]-4-benzimidazolecarboxamide IUPAC Name: 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)benzimidazole-4-carboxamide Traditional Name: 6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N-methyl-N-(3-piperidin-1-ium-1-ylpropyl)benzimidazole-4-carboxamide Formula: C28H38N5O3+ MolecularWeight: 492.63302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2C(=O)N(C)CCC[NH+]3CCCCC3)NC(=O)C)N=C1C4=CC(=CC=C4)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2C(=O)N(C)CCC[NH+]3CCCCC3)NC(=O)C)N=C1C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H37N5O3/c1-5-33-26-24(28(35)31(3)13-10-16-32-14-7-6-8-15-32)18-22(29-20(2)34)19-25(26)30-27(33)21-11-9-12-23(17-21)36-4/h9,11-12,17-19H,5-8,10,13-16H2,1-4H3,(H,29,34)/p+1