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

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-tert-butylphenyl)methyl]-methyl-azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-[(4-tert-butylphenyl)methyl]-methylammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-(4-tert-butylbenzyl)-methyl-ammonium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C)C(=O)NC)N

InChI

InChI=1S/C22H31N3O3S/c1-7-28-21(27)17-16(18(20(26)24-5)29-19(17)23)13-25(6)12-14-8-10-15(11-9-14)22(2,3)4/h8-11H,7,12-13,23H2,1-6H3,(H,24,26)/p+1