butyl-[(1S)-1-(4-chlorophenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-methyl-azanium

Systemtic Name: butyl-[(1S)-1-(4-chlorophenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-methyl-azanium Openeye Name: butyl-[(1S)-1-(4-chlorophenyl)-2-oxo-2-piperazin-1-yl-ethyl]-methyl-ammonium CAS Name: butyl-[(1S)-1-(4-chlorophenyl)-2-oxo-2-(1-piperazinyl)ethyl]-methylammonium IUPAC Name: butyl-[(1S)-1-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylethyl]-methylazanium Traditional Name: butyl-[(1S)-1-(4-chlorophenyl)-2-keto-2-piperazino-ethyl]-methyl-ammonium Formula: C17H27ClN3O+ MolecularWeight: 324.86878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C1=CC=C(C=C1)Cl)C(=O)N2CCNCC2

Isomeric SMILES

CCCC[NH+](C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)N2CCNCC2

InChI

InChI=1S/C17H26ClN3O/c1-3-4-11-20(2)16(14-5-7-15(18)8-6-14)17(22)21-12-9-19-10-13-21/h5-8,16,19H,3-4,9-13H2,1-2H3/p+1/t16-/m0/s1