[(3S,4R)-1-[(3-hydroxyphenyl)methyl]-3-(3-methoxy-3-oxidanylidene-propyl)piperidin-1-ium-4-yl]-dimethyl-azanium

Systemtic Name: [(3S,4R)-1-[(3-hydroxyphenyl)methyl]-3-(3-methoxy-3-oxidanylidene-propyl)piperidin-1-ium-4-yl]-dimethyl-azanium Openeye Name: [(3S,4R)-1-[(3-hydroxyphenyl)methyl]-3-(3-methoxy-3-oxo-propyl)piperidin-1-ium-4-yl]-dimethyl-ammonium CAS Name: [(3S,4R)-1-[(3-hydroxyphenyl)methyl]-3-(3-methoxy-3-oxopropyl)-4-piperidin-1-iumyl]-dimethylammonium IUPAC Name: [(3S,4R)-1-[(3-hydroxyphenyl)methyl]-3-(3-methoxy-3-oxopropyl)piperidin-1-ium-4-yl]-dimethylazanium Traditional Name: [(3S,4R)-1-(3-hydroxybenzyl)-3-(3-keto-3-methoxy-propyl)piperidin-1-ium-4-yl]-dimethyl-ammonium Formula: C18H30N2O3+2 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CC[NH+](CC1CCC(=O)OC)CC2=CC(=CC=C2)O

Isomeric SMILES

C[NH+](C)[C@@H]1CC[NH+](C[C@@H]1CCC(=O)OC)CC2=CC(=CC=C2)O

InChI

InChI=1S/C18H28N2O3/c1-19(2)17-9-10-20(12-14-5-4-6-16(21)11-14)13-15(17)7-8-18(22)23-3/h4-6,11,15,17,21H,7-10,12-13H2,1-3H3/p+2/t15-,17+/m0/s1