2-(2-methylphenyl)-1-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]ethanone

Systemtic Name: 2-(2-methylphenyl)-1-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]ethanone Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)-1-piperidyl]-2-(o-tolyl)ethanone CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazin-4-iumyl)-1-piperidinyl]-2-(2-methylphenyl)ethanone IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidino]-2-(o-tolyl)ethanone Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCC(C(C2)O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H29N3O2/c1-15-5-3-4-6-16(15)13-19(24)22-8-7-17(18(23)14-22)21-11-9-20(2)10-12-21/h3-6,17-18,23H,7-14H2,1-2H3/p+1/t17-,18-/m1/s1