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

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-[(3,4-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-[(3,4-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(3,4-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-methyl-veratryl-ammonium Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-6-28-20(25)16-13(17(19(24)22-2)29-18(16)21)11-23(3)10-12-7-8-14(26-4)15(9-12)27-5/h7-9H,6,10-11,21H2,1-5H3,(H,22,24)/p+1