[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)C[NH+](C)CC2=CSC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)C[NH+](C)CC2=CSC=C2)C

InChI

InChI=1S/C19H23N3OS/c1-15-9-16(2)11-18(10-15)22(7-4-6-20)19(23)13-21(3)12-17-5-8-24-14-17/h5,8-11,14H,4,7,12-13H2,1-3H3/p+1