N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H29N5O3/c1-3-32-18-10-8-17(9-11-18)15-29-13-12-25-24(31)21(29)14-23(30)28(2)16-22-26-19-6-4-5-7-20(19)27-22/h4-11,21H,3,12-16H2,1-2H3,(H,25,31)(H,26,27)/p+1/t21-/m1/s1