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

Systemtic Name: methyl 1-[2-[[4-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C22H26N2O4/c1-16-3-7-19(8-4-16)28-20-9-5-18(6-10-20)23-21(25)15-24-13-11-17(12-14-24)22(26)27-2/h3-10,17H,11-15H2,1-2H3,(H,23,25)/p+1