(4-chlorophenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium

Systemtic Name: (4-chlorophenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Openeye Name: (4-chlorophenyl)methyl-methyl-[(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]ammonium IUPAC Name: (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]azanium Traditional Name: (4-chlorobenzyl)-[(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]-methyl-ammonium Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH+](C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)[NH+](C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O/c1-17(23(2)16-18-8-10-19(22)11-9-18)21(26)25-14-12-24(13-15-25)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3/p+1/t17-/m1/s1