ethyl (3S)-1-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-morpholinoanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-morpholinoanilino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C20H29N3O4/c1-2-27-20(25)16-4-3-9-22(14-16)15-19(24)21-17-5-7-18(8-6-17)23-10-12-26-13-11-23/h5-8,16H,2-4,9-15H2,1H3,(H,21,24)/p+1/t16-/m0/s1