[(3S)-1-methylpiperidin-1-ium-3-yl] 4-ethoxybenzoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-ethoxybenzoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2CCC[NH+](C2)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-3-18-13-8-6-12(7-9-13)15(17)19-14-5-4-10-16(2)11-14/h6-9,14H,3-5,10-11H2,1-2H3/p+1/t14-/m0/s1