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

Systemtic Name: 2-(3-methylphenyl)-1-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]ethanone Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)-1-piperidyl]-2-(m-tolyl)ethanone CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]-2-(3-methylphenyl)ethanone IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]-2-(m-tolyl)ethanone Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)N2CCC(C(C2)O)[NH+]3CCC(CC3)O

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)N2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O

InChI

InChI=1S/C19H28N2O3/c1-14-3-2-4-15(11-14)12-19(24)21-10-7-17(18(23)13-21)20-8-5-16(22)6-9-20/h2-4,11,16-18,22-23H,5-10,12-13H2,1H3/p+1/t17-,18-/m1/s1