[(3S,4S)-1-methyl-4-phenyl-3-prop-2-enyl-piperidin-1-ium-4-yl] propanoate

Systemtic Name: [(3S,4S)-1-methyl-4-phenyl-3-prop-2-enyl-piperidin-1-ium-4-yl] propanoate Openeye Name: [(3S,4S)-3-allyl-1-methyl-4-phenyl-piperidin-1-ium-4-yl] propanoate CAS Name: propanoic acid [(3S,4S)-1-methyl-4-phenyl-3-prop-2-enyl-4-piperidin-1-iumyl] ester IUPAC Name: [(3S,4S)-1-methyl-4-phenyl-3-prop-2-enylpiperidin-1-ium-4-yl] propanoate Traditional Name: propionic acid [(3S,4S)-3-allyl-1-methyl-4-phenyl-piperidin-1-ium-4-yl] ester Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC[NH+](CC1CC=C)C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2/c1-4-9-16-14-19(3)13-12-18(16,21-17(20)5-2)15-10-7-6-8-11-15/h4,6-8,10-11,16H,1,5,9,12-14H2,2-3H3/p+1/t16-,18+/m0/s1