(2S)-2-(4-methylphenyl)-2-[methyl(phenyl)amino]-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(4-methylphenyl)-2-[methyl(phenyl)amino]-1-piperazin-4-ium-1-yl-ethanone Openeye Name: (2S)-2-(N-methylanilino)-1-piperazin-4-ium-1-yl-2-(p-tolyl)ethanone CAS Name: (2S)-2-(N-methylanilino)-2-(4-methylphenyl)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: (2S)-2-(N-methylanilino)-2-(4-methylphenyl)-1-piperazin-4-ium-1-ylethanone Traditional Name: (2S)-2-(N-methylanilino)-1-piperazin-4-ium-1-yl-2-(p-tolyl)ethanone Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)N2CC[NH2+]CC2)N(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)N2CC[NH2+]CC2)N(C)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c1-16-8-10-17(11-9-16)19(20(24)23-14-12-21-13-15-23)22(2)18-6-4-3-5-7-18/h3-11,19,21H,12-15H2,1-2H3/p+1/t19-/m0/s1