(2S)-1-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-(3,4-dimethylphenyl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-propan-1-one Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O/c1-11-4-5-14(10-12(11)2)15(18)13(3)17-8-6-16-7-9-17/h4-5,10,13,16H,6-9H2,1-3H3/p+1/t13-/m0/s1