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

Systemtic Name: (2S)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-ethanone Openeye Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-2-(p-tolyl)ethanone CAS Name: (2S)-2-(4-methylphenyl)-2-(4-methyl-1-piperidin-1-iumyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2S)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-ylethanone Traditional Name: (2S)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazino-2-(p-tolyl)ethanone Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC=C(C=C2)C)C(=O)N3CCNCC3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C2=CC=C(C=C2)C)C(=O)N3CCNCC3

InChI

InChI=1S/C19H29N3O/c1-15-3-5-17(6-4-15)18(21-11-7-16(2)8-12-21)19(23)22-13-9-20-10-14-22/h3-6,16,18,20H,7-14H2,1-2H3/p+1/t18-/m0/s1