3-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-acetyl]amino]propyl-dimethyl-ammonium Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C#N

Isomeric SMILES

C[NH+](C)CCCNC(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C#N

InChI

InChI=1S/C16H22N4O2S/c1-20(2)9-5-8-18-14(21)15(22)19-16-12(10-17)11-6-3-4-7-13(11)23-16/h3-9H2,1-2H3,(H,18,21)(H,19,22)/p+1