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

Systemtic Name: methyl 1-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C18H26N2O4/c1-14-4-3-5-16(12-14)24-11-8-19-17(21)13-20-9-6-15(7-10-20)18(22)23-2/h3-5,12,15H,6-11,13H2,1-2H3,(H,19,21)/p+1