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

Systemtic Name: (2-methylphenyl)-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)-1-piperidyl]-(o-tolyl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]-(2-methylphenyl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]-(2-methylphenyl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]-(o-tolyl)methanone Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(C(C2)O)[NH+]3CCC(CC3)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O

InChI

InChI=1S/C18H26N2O3/c1-13-4-2-3-5-15(13)18(23)20-11-8-16(17(22)12-20)19-9-6-14(21)7-10-19/h2-5,14,16-17,21-22H,6-12H2,1H3/p+1/t16-,17-/m1/s1