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

Systemtic Name: butyl-methyl-[(1S)-1-(4-methylphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium Openeye Name: butyl-methyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(p-tolyl)ethyl]ammonium CAS Name: butyl-methyl-[(1S)-1-(4-methylphenyl)-2-oxo-2-(1-piperazinyl)ethyl]ammonium IUPAC Name: butyl-methyl-[(1S)-1-(4-methylphenyl)-2-oxo-2-piperazin-1-ylethyl]azanium Traditional Name: butyl-[(1S)-2-keto-2-piperazino-1-(p-tolyl)ethyl]-methyl-ammonium Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-4-5-12-20(3)17(16-8-6-15(2)7-9-16)18(22)21-13-10-19-11-14-21/h6-9,17,19H,4-5,10-14H2,1-3H3/p+1/t17-/m0/s1