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

Systemtic Name: [(3S,4R)-1-[(4-ethoxyphenyl)methyl]-3-(3-methoxy-3-oxidanylidene-propyl)piperidin-1-ium-4-yl]-dimethyl-azanium Openeye Name: [(3S,4R)-1-[(4-ethoxyphenyl)methyl]-3-(3-methoxy-3-oxo-propyl)piperidin-1-ium-4-yl]-dimethyl-ammonium CAS Name: [(3S,4R)-1-[(4-ethoxyphenyl)methyl]-3-(3-methoxy-3-oxopropyl)-4-piperidin-1-iumyl]-dimethylammonium IUPAC Name: [(3S,4R)-1-[(4-ethoxyphenyl)methyl]-3-(3-methoxy-3-oxopropyl)piperidin-1-ium-4-yl]-dimethylazanium Traditional Name: [(3S,4R)-1-(4-ethoxybenzyl)-3-(3-keto-3-methoxy-propyl)piperidin-1-ium-4-yl]-dimethyl-ammonium Formula: C20H34N2O3+2 MolecularWeight: 350.49556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(C(C2)CCC(=O)OC)[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CC[C@H]([C@H](C2)CCC(=O)OC)[NH+](C)C

InChI

InChI=1S/C20H32N2O3/c1-5-25-18-9-6-16(7-10-18)14-22-13-12-19(21(2)3)17(15-22)8-11-20(23)24-4/h6-7,9-10,17,19H,5,8,11-15H2,1-4H3/p+2/t17-,19+/m0/s1