[(3S)-3-cyano-4-ethoxy-3-(5-methyl-1-benzothiophen-3-yl)-4-oxidanylidene-butyl]-dimethyl-azanium

Systemtic Name: [(3S)-3-cyano-4-ethoxy-3-(5-methyl-1-benzothiophen-3-yl)-4-oxidanylidene-butyl]-dimethyl-azanium Openeye Name: [(3S)-3-cyano-4-ethoxy-3-(5-methylbenzothiophen-3-yl)-4-oxo-butyl]-dimethyl-ammonium CAS Name: [(3S)-3-cyano-4-ethoxy-3-(5-methyl-1-benzothiophen-3-yl)-4-oxobutyl]-dimethylammonium IUPAC Name: [(3S)-3-cyano-4-ethoxy-3-(5-methyl-1-benzothiophen-3-yl)-4-oxobutyl]-dimethylazanium Traditional Name: [(3S)-3-cyano-4-ethoxy-4-keto-3-(5-methylbenzothiophen-3-yl)butyl]-dimethyl-ammonium Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC[NH+](C)C)(C#N)C1=CSC2=C1C=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@](CC[NH+](C)C)(C#N)C1=CSC2=C1C=C(C=C2)C

InChI

InChI=1S/C18H22N2O2S/c1-5-22-17(21)18(12-19,8-9-20(3)4)15-11-23-16-7-6-13(2)10-14(15)16/h6-7,10-11H,5,8-9H2,1-4H3/p+1/t18-/m1/s1