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

Systemtic Name: cyclohexyl-methyl-[(1S)-1-(4-methylphenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium Openeye Name: cyclohexyl-methyl-[(1S)-2-oxo-2-piperazin-1-yl-1-(p-tolyl)ethyl]ammonium CAS Name: cyclohexyl-methyl-[(1S)-1-(4-methylphenyl)-2-oxo-2-(1-piperazinyl)ethyl]ammonium IUPAC Name: cyclohexyl-methyl-[(1S)-1-(4-methylphenyl)-2-oxo-2-piperazin-1-ylethyl]azanium Traditional Name: cyclohexyl-[(1S)-2-keto-2-piperazino-1-(p-tolyl)ethyl]-methyl-ammonium Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+](C)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+](C)C3CCCCC3

InChI

InChI=1S/C20H31N3O/c1-16-8-10-17(11-9-16)19(20(24)23-14-12-21-13-15-23)22(2)18-6-4-3-5-7-18/h8-11,18-19,21H,3-7,12-15H2,1-2H3/p+1/t19-/m0/s1