ethyl 2-[(4Z)-1-(morpholin-4-ium-4-ylmethyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[(4Z)-1-(morpholin-4-ium-4-ylmethyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[(4Z)-4-benzylidene-1-(morpholin-4-ium-4-ylmethyl)-5-oxo-imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4Z)-1-(4-morpholin-4-iumylmethyl)-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4Z)-4-benzylidene-1-(morpholin-4-ium-4-ylmethyl)-5-oxoimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4Z)-4-benzal-5-keto-1-(morpholin-4-ium-4-ylmethyl)-2-imidazolin-2-yl]thio]acetic acid ethyl ester Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=CC2=CC=CC=C2)C(=O)N1C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)CSC1=N/C(=C\C2=CC=CC=C2)/C(=O)N1C[NH+]3CCOCC3

InChI

InChI=1S/C19H23N3O4S/c1-2-26-17(23)13-27-19-20-16(12-15-6-4-3-5-7-15)18(24)22(19)14-21-8-10-25-11-9-21/h3-7,12H,2,8-11,13-14H2,1H3/p+1/b16-12-