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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O/c1-4-12-21(13-5-2)18(17-8-6-16(3)7-9-17)19(23)22-14-10-20-11-15-22/h6-9,18,20H,4-5,10-15H2,1-3H3/p+1/t18-/m0/s1