(3R)-1-[(1S)-1-phenylethyl]-3-(phenylmethyl)piperazin-4-ium-2-one chloride

Systemtic Name: (3R)-1-[(1S)-1-phenylethyl]-3-(phenylmethyl)piperazin-4-ium-2-one chloride Openeye Name: (3R)-3-benzyl-1-[(1S)-1-phenylethyl]piperazin-4-ium-2-one chloride CAS Name: (3R)-1-[(1S)-1-phenylethyl]-3-(phenylmethyl)-2-piperazin-4-iumone chloride IUPAC Name: (3R)-3-benzyl-1-[(1S)-1-phenylethyl]piperazin-4-ium-2-one chloride Traditional Name: (3R)-3-benzyl-1-[(1S)-1-phenylethyl]piperazin-4-ium-2-one chloride Formula: C19H23ClN2O MolecularWeight: 330.85172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC[NH2+]C(C2=O)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2CC[NH2+][C@@H](C2=O)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C19H22N2O.ClH/c1-15(17-10-6-3-7-11-17)21-13-12-20-18(19(21)22)14-16-8-4-2-5-9-16;/h2-11,15,18,20H,12-14H2,1H3;1H/t15-,18+;/m0./s1