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

Systemtic Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-phenethylacetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-phenethylacetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-2,3-dimethyl-benzyl)piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-acetamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCNC(=O)C2CC(=O)N(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-18-19(2)23(31-4)11-10-21(18)17-28-15-13-26-25(30)22(28)16-24(29)27(3)14-12-20-8-6-5-7-9-20/h5-11,22H,12-17H2,1-4H3,(H,26,30)/p+1/t22-/m1/s1