methyl 4-[[4-[3-(2-methoxyethylamino)-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[3-(2-methoxyethylamino)-3-oxidanylidene-propyl]piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-(2-methoxyethylamino)-3-oxo-propyl]piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(2-methoxyethylamino)-3-oxopropyl]piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-keto-3-(2-methoxyethylamino)propyl]piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H31N2O4+ MolecularWeight: 363.47114

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CCC1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COCCNC(=O)CCC1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H30N2O4/c1-25-14-11-21-19(23)8-5-16-9-12-22(13-10-16)15-17-3-6-18(7-4-17)20(24)26-2/h3-4,6-7,16H,5,8-15H2,1-2H3,(H,21,23)/p+1