(2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)-1-piperazin-1-yl-ethanone

Systemtic Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)-1-piperazin-1-yl-ethanone Openeye Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(p-tolyl)ethanone CAS Name: (2R)-2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-2-(4-methylphenyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)-1-piperazin-1-ylethanone Traditional Name: (2R)-2-[(2S,6S)-2,6-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:

CC1CCCC([NH+]1C(C2=CC=C(C=C2)C)C(=O)N3CCNCC3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O/c1-15-7-9-18(10-8-15)19(20(24)22-13-11-21-12-14-22)23-16(2)5-4-6-17(23)3/h7-10,16-17,19,21H,4-6,11-14H2,1-3H3/p+1/t16-,17-,19+/m0/s1