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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C15H22N2O/c1-3-13-4-6-14(7-5-13)15(18)12(2)17-10-8-16-9-11-17/h4-7,12,16H,3,8-11H2,1-2H3/p+1/t12-/m0/s1