(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(4-ethylphenyl)methyl]-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(4-ethylphenyl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(4-ethylphenyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(4-ethylphenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(4-ethylphenyl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(4-ethylbenzyl)-methyl-ammonium Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C19H23N3O2S/c1-4-13-6-8-14(9-7-13)11-22(3)12-16-15(10-20)18(21)25-17(16)19(23)24-5-2/h6-9H,4-5,11-12,21H2,1-3H3/p+1