ethyl 1-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H31N3O4/c1-3-28-21(26)17-8-10-23(11-9-17)16(2)20(25)22-18-4-6-19(7-5-18)24-12-14-27-15-13-24/h4-7,16-17H,3,8-15H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1