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

Systemtic Name: butyl-ethyl-[(1S)-1-(4-methylphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium Openeye Name: butyl-ethyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(p-tolyl)ethyl]ammonium CAS Name: butyl-ethyl-[(1S)-1-(4-methylphenyl)-2-oxo-2-(1-piperazinyl)ethyl]ammonium IUPAC Name: butyl-ethyl-[(1S)-1-(4-methylphenyl)-2-oxo-2-piperazin-1-ylethyl]azanium Traditional Name: butyl-ethyl-[(1S)-2-keto-2-piperazino-1-(p-tolyl)ethyl]ammonium Formula: C19H32N3O+ MolecularWeight: 318.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O/c1-4-6-13-21(5-2)18(17-9-7-16(3)8-10-17)19(23)22-14-11-20-12-15-22/h7-10,18,20H,4-6,11-15H2,1-3H3/p+1/t18-/m0/s1