[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-azanium

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylazanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H22N4OS/c1-4-22(12-14-5-7-16(8-6-14)21(2)3)13-17(23)20-18-15(11-19)9-10-24-18/h5-10H,4,12-13H2,1-3H3,(H,20,23)/p+1