2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-imidazol-1-ylethyl)-N-methyl-ethanamide

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-imidazol-1-ylethyl)-N-methyl-ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-imidazol-1-ylethyl)-N-methyl-acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-imidazolyl)ethyl]-N-methylacetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide Traditional Name: N-(2-imidazol-1-ylethyl)-2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C21H30N5O4+ MolecularWeight: 416.494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C=CN=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CN(CCN1C=CN=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H29N5O4/c1-24(11-12-25-9-7-22-15-25)19(27)13-17-21(28)23-8-10-26(17)14-16-5-4-6-18(29-2)20(16)30-3/h4-7,9,15,17H,8,10-14H2,1-3H3,(H,23,28)/p+1/t17-/m1/s1