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

Systemtic Name: [(3S,4R)-3-(3-methoxy-3-oxidanylidene-propyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-dimethyl-azanium Openeye Name: [(3S,4R)-3-(3-methoxy-3-oxo-propyl)-1-(m-tolylmethyl)piperidin-1-ium-4-yl]-dimethyl-ammonium CAS Name: [(3S,4R)-3-(3-methoxy-3-oxopropyl)-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-dimethylammonium IUPAC Name: [(3S,4R)-3-(3-methoxy-3-oxopropyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-dimethylazanium Traditional Name: [(3S,4R)-3-(3-keto-3-methoxy-propyl)-1-(3-methylbenzyl)piperidin-1-ium-4-yl]-dimethyl-ammonium Formula: C19H32N2O2+2 MolecularWeight: 320.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(C(C2)CCC(=O)OC)[NH+](C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[C@H]([C@H](C2)CCC(=O)OC)[NH+](C)C

InChI

InChI=1S/C19H30N2O2/c1-15-6-5-7-16(12-15)13-21-11-10-18(20(2)3)17(14-21)8-9-19(22)23-4/h5-7,12,17-18H,8-11,13-14H2,1-4H3/p+2/t17-,18+/m0/s1