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

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-ethylphenyl)methyl]-methyl-azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-[(4-ethylphenyl)methyl]-methyl-ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-[(4-ethylphenyl)methyl]-methylammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(4-ethylphenyl)methyl]-methylazanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-(4-ethylbenzyl)-methyl-ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-5-13-7-9-14(10-8-13)11-23(4)12-15-16(20(25)26-6-2)18(21)27-17(15)19(24)22-3/h7-10H,5-6,11-12,21H2,1-4H3,(H,22,24)/p+1