(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)-1-piperazin-1-yl-ethanone

Systemtic Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)-1-piperazin-1-yl-ethanone Openeye Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(p-tolyl)ethanone CAS Name: (2R)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-2-(4-methylphenyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)-1-piperazin-1-ylethanone Traditional Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-piperazino-2-(p-tolyl)ethanone Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C2=CC=C(C=C2)C)C(=O)N3CCNCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)[C@H](C2=CC=C(C=C2)C)C(=O)N3CCNCC3)C

InChI

InChI=1S/C20H31N3O/c1-15-4-6-18(7-5-15)19(20(24)22-10-8-21-9-11-22)23-13-16(2)12-17(3)14-23/h4-7,16-17,19,21H,8-14H2,1-3H3/p+1/t16-,17-,19+/m0/s1