[(3S,4R)-1-(2,2-diphenylethyl)-3-(3-methoxy-3-oxidanylidene-propyl)piperidin-1-ium-4-yl]-dimethyl-azanium

Systemtic Name: [(3S,4R)-1-(2,2-diphenylethyl)-3-(3-methoxy-3-oxidanylidene-propyl)piperidin-1-ium-4-yl]-dimethyl-azanium Openeye Name: [(3S,4R)-1-(2,2-diphenylethyl)-3-(3-methoxy-3-oxo-propyl)piperidin-1-ium-4-yl]-dimethyl-ammonium CAS Name: [(3S,4R)-1-(2,2-diphenylethyl)-3-(3-methoxy-3-oxopropyl)-4-piperidin-1-iumyl]-dimethylammonium IUPAC Name: [(3S,4R)-1-(2,2-diphenylethyl)-3-(3-methoxy-3-oxopropyl)piperidin-1-ium-4-yl]-dimethylazanium Traditional Name: [(3S,4R)-1-(2,2-diphenylethyl)-3-(3-keto-3-methoxy-propyl)piperidin-1-ium-4-yl]-dimethyl-ammonium Formula: C25H36N2O2+2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CC[NH+](CC1CCC(=O)OC)CC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@@H]1CC[NH+](C[C@@H]1CCC(=O)OC)CC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H34N2O2/c1-26(2)24-16-17-27(18-22(24)14-15-25(28)29-3)19-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22-24H,14-19H2,1-3H3/p+2/t22-,24+/m0/s1