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

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1H-imidazol-2-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(1H-imidazol-2-ylmethyl)-N-methyl-acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide Traditional Name: N-(1H-imidazol-2-ylmethyl)-2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C20H28N5O4+ MolecularWeight: 402.46742

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=CN1)C(=O)CC2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CN(CC1=NC=CN1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C20H27N5O4/c1-24(13-17-21-7-8-22-17)18(26)11-15-20(27)23-9-10-25(15)12-14-5-4-6-16(28-2)19(14)29-3/h4-8,15H,9-13H2,1-3H3,(H,21,22)(H,23,27)/p+1/t15-/m1/s1