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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(4-tert-butylphenyl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(4-tert-butylphenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(4-tert-butylbenzyl)-methyl-ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H27N3O2S/c1-6-26-20(25)18-17(16(11-22)19(23)27-18)13-24(5)12-14-7-9-15(10-8-14)21(2,3)4/h7-10H,6,12-13,23H2,1-5H3/p+1