(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-ethanone

Systemtic Name: (2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-ethanone Openeye Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-(p-tolyl)ethanone CAS Name: (2S)-2-(4-methylphenyl)-2-(4-methyl-1-piperazin-1-iumyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-ylethanone Traditional Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazino-2-(p-tolyl)ethanone Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+]3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+]3CCN(CC3)C

InChI

InChI=1S/C18H28N4O/c1-15-3-5-16(6-4-15)17(21-13-11-20(2)12-14-21)18(23)22-9-7-19-8-10-22/h3-6,17,19H,7-14H2,1-2H3/p+1/t17-/m0/s1