methyl 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H33N2O5+ MolecularWeight: 393.49712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCC(CC2)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCC(CC2)C(=O)OC)OCC

InChI

InChI=1S/C21H32N2O5/c1-4-27-18-7-6-16(14-19(18)28-5-2)8-11-22-20(24)15-23-12-9-17(10-13-23)21(25)26-3/h6-7,14,17H,4-5,8-13,15H2,1-3H3,(H,22,24)/p+1