(4-methoxy-3-methyl-phenyl)-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: (4-methoxy-3-methyl-phenyl)-[(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]-(4-methoxy-3-methyl-phenyl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]-(4-methoxy-3-methylphenyl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]-(4-methoxy-3-methyl-phenyl)methanone Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-13-11-14(3-4-18(13)25-2)19(24)21-10-7-16(17(23)12-21)20-8-5-15(22)6-9-20/h3-4,11,15-17,22-23H,5-10,12H2,1-2H3/p+1/t16-,17-/m1/s1