(2S)-2-(4-ethylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-ethanone

Systemtic Name: (2S)-2-(4-ethylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-ethanone Openeye Name: (2S)-2-(4-ethylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-ethanone CAS Name: (2S)-2-(4-ethylphenyl)-2-(4-methyl-1-piperidin-1-iumyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2S)-2-(4-ethylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-ylethanone Traditional Name: (2S)-2-(4-ethylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazino-ethanone Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+]3CCC(CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+]3CCC(CC3)C

InChI

InChI=1S/C20H31N3O/c1-3-17-4-6-18(7-5-17)19(22-12-8-16(2)9-13-22)20(24)23-14-10-21-11-15-23/h4-7,16,19,21H,3,8-15H2,1-2H3/p+1/t19-/m0/s1