ethyl 3-[2-[(4-cyclohexylmorpholin-4-ium-4-yl)carbonylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: ethyl 3-[2-[(4-cyclohexylmorpholin-4-ium-4-yl)carbonylamino]ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[2-[(4-cyclohexylmorpholin-4-ium-4-carbonyl)amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-[[(4-cyclohexyl-4-morpholin-4-iumyl)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(4-cyclohexylmorpholin-4-ium-4-carbonyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-[(4-cyclohexylmorpholin-4-ium-4-carbonyl)amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid ethyl ester Formula: C25H38N3O5S+ MolecularWeight: 492.65132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CSCCNC(=O)[N+]1(CCOCC1)C2CCCCC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CC(CSCCNC(=O)[N+]1(CCOCC1)C2CCCCC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C25H37N3O5S/c1-2-33-23(29)17-21(24(30)20-7-6-10-26-18-20)19-34-16-11-27-25(31)28(12-14-32-15-13-28)22-8-4-3-5-9-22/h6-7,10,18,21-22H,2-5,8-9,11-17,19H2,1H3/p+1