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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(2R)-3-keto-1-veratryl-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C24H30N5O4+ MolecularWeight: 452.5261

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2N1)C(=O)CC3C(=O)NCC[NH+]3CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2N1)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H29N5O4/c1-28(15-22-26-17-6-4-5-7-18(17)27-22)23(30)13-19-24(31)25-10-11-29(19)14-16-8-9-20(32-2)21(12-16)33-3/h4-9,12,19H,10-11,13-15H2,1-3H3,(H,25,31)(H,26,27)/p+1/t19-/m1/s1