ethyl 1-[2-[[4-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[4-(4-methylphenoxy)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[4-(4-methylphenoxy)anilino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)C

InChI

InChI=1S/C23H28N2O4/c1-3-28-23(27)18-12-14-25(15-13-18)16-22(26)24-19-6-10-21(11-7-19)29-20-8-4-17(2)5-9-20/h4-11,18H,3,12-16H2,1-2H3,(H,24,26)/p+1