6-formamido-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(phenylmethyl)benzimidazole-4-carboxamide

Systemtic Name: 6-formamido-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(phenylmethyl)benzimidazole-4-carboxamide Openeye Name: 2-benzyl-6-formamido-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-4-carboxamide CAS Name: 6-formamido-3-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-2-(phenylmethyl)-4-benzimidazolecarboxamide IUPAC Name: 2-benzyl-6-formamido-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-4-carboxamide Traditional Name: 2-benzyl-6-formamido-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-4-carboxamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=CC(=C2)NC=O)C(=O)NCC[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC2=C1C(=CC(=C2)NC=O)C(=O)NCC[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3/c1-27-21(13-17-5-3-2-4-6-17)26-20-15-18(25-16-29)14-19(22(20)27)23(30)24-7-8-28-9-11-31-12-10-28/h2-6,14-16H,7-13H2,1H3,(H,24,30)(H,25,29)/p+1