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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(4-dimethylaminophenyl)methyl]-ethyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(4-dimethylaminophenyl)methyl]-ethyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(4-dimethylaminophenyl)methyl]-ethylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(4-dimethylaminophenyl)methyl]-ethylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C20H26N4O2S/c1-5-24(12-14-7-9-15(10-8-14)23(3)4)13-17-16(11-21)19(22)27-18(17)20(25)26-6-2/h7-10H,5-6,12-13,22H2,1-4H3/p+1