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

Systemtic Name: [(3S,4R)-1-cycloheptyl-3-(3-methoxy-3-oxidanylidene-propyl)piperidin-1-ium-4-yl]-dimethyl-azanium Openeye Name: [(3S,4R)-1-cycloheptyl-3-(3-methoxy-3-oxo-propyl)piperidin-1-ium-4-yl]-dimethyl-ammonium CAS Name: [(3S,4R)-1-cycloheptyl-3-(3-methoxy-3-oxopropyl)-4-piperidin-1-iumyl]-dimethylammonium IUPAC Name: [(3S,4R)-1-cycloheptyl-3-(3-methoxy-3-oxopropyl)piperidin-1-ium-4-yl]-dimethylazanium Traditional Name: [(3S,4R)-1-cycloheptyl-3-(3-keto-3-methoxy-propyl)piperidin-1-ium-4-yl]-dimethyl-ammonium Formula: C18H36N2O2+2 MolecularWeight: 312.49064

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CC[NH+](CC1CCC(=O)OC)C2CCCCCC2

Isomeric SMILES

C[NH+](C)[C@@H]1CC[NH+](C[C@@H]1CCC(=O)OC)C2CCCCCC2

InChI

InChI=1S/C18H34N2O2/c1-19(2)17-12-13-20(16-8-6-4-5-7-9-16)14-15(17)10-11-18(21)22-3/h15-17H,4-14H2,1-3H3/p+2/t15-,17+/m0/s1