dimethyl-[[3-[(2R)-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]azanium

Systemtic Name: dimethyl-[[3-[(2R)-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]carbonylphenyl]methyl]azanium Openeye Name: [3-[(2R)-2-benzyl-3-oxo-piperazine-1-carbonyl]phenyl]methyl-dimethyl-ammonium CAS Name: dimethyl-[[3-[oxo-[(2R)-3-oxo-2-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]ammonium IUPAC Name: [3-[(2R)-2-benzyl-3-oxopiperazine-1-carbonyl]phenyl]methyl-dimethylazanium Traditional Name: [3-[(2R)-2-benzyl-3-keto-piperazine-1-carbonyl]benzyl]-dimethyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CC1=CC=CC(=C1)C(=O)N2CCNC(=O)[C@H]2CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-23(2)15-17-9-6-10-18(13-17)21(26)24-12-11-22-20(25)19(24)14-16-7-4-3-5-8-16/h3-10,13,19H,11-12,14-15H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1