N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide

Systemtic Name: N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide Openeye Name: N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1H-imidazol-2-ylmethyl)-2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-(1H-imidazol-2-ylmethyl)-2-[(2R)-3-keto-1-(4-methoxy-2,3-dimethyl-benzyl)piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=NC=CN3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=NC=CN3

InChI

InChI=1S/C21H29N5O3/c1-14-15(2)18(29-4)6-5-16(14)12-26-10-9-24-21(28)17(26)11-20(27)25(3)13-19-22-7-8-23-19/h5-8,17H,9-13H2,1-4H3,(H,22,23)(H,24,28)/p+1/t17-/m1/s1