1-[3-[[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-1-piperidyl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-1-piperidinyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3R,4R)-3-hydroxy-4-(4-methylpiperazino)piperidino]methyl]phenyl]ethanone Formula: C19H29N3O2 MolecularWeight: 331.45246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)CN2CCC(C(C2)O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)CN2CC[C@H]([C@@H](C2)O)N3CCN(CC3)C

InChI

InChI=1S/C19H29N3O2/c1-15(23)17-5-3-4-16(12-17)13-21-7-6-18(19(24)14-21)22-10-8-20(2)9-11-22/h3-5,12,18-19,24H,6-11,13-14H2,1-2H3/t18-,19-/m1/s1