[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H20N3OS2+ MolecularWeight: 346.4902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H19N3OS2/c1-20(12-13-3-5-15(22-2)6-4-13)9-7-16(21)19-17-14(11-18)8-10-23-17/h3-6,8,10H,7,9,12H2,1-2H3,(H,19,21)/p+1