4-(4-methylsulfanylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(4-methylsulfanylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-4-oxidanylidene-butanamide Openeye Name: 4-(4-methylsulfanylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-4-oxo-butanamide CAS Name: 4-[4-(methylthio)phenyl]-N-[4-(4-morpholin-4-iumylmethyl)phenyl]-4-oxobutanamide IUPAC Name: 4-(4-methylsulfanylphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-4-oxobutanamide Traditional Name: 4-keto-4-[4-(methylthio)phenyl]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]butyramide Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H26N2O3S/c1-28-20-8-4-18(5-9-20)21(25)10-11-22(26)23-19-6-2-17(3-7-19)16-24-12-14-27-15-13-24/h2-9H,10-16H2,1H3,(H,23,26)/p+1