(2S)-1-(4-methylphenyl)-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(4-methylphenyl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-2-piperazin-4-ium-1-yl-1-(p-tolyl)propan-1-one CAS Name: (2S)-1-(4-methylphenyl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-methylphenyl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-2-piperazin-4-ium-1-yl-1-(p-tolyl)propan-1-one Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C14H20N2O/c1-11-3-5-13(6-4-11)14(17)12(2)16-9-7-15-8-10-16/h3-6,12,15H,7-10H2,1-2H3/p+1/t12-/m0/s1