ethyl 1-[(4-butoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-butoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-butoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-butoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-butoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-butoxybenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H30NO3+ MolecularWeight: 320.4464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C19H29NO3/c1-3-5-14-23-18-8-6-16(7-9-18)15-20-12-10-17(11-13-20)19(21)22-4-2/h6-9,17H,3-5,10-15H2,1-2H3/p+1