(3,4-dimethoxyphenyl)methyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-methyl-veratryl-ammonium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-7-28-21(25)19-13(2)14(3)29-20(19)22-18(24)12-23(4)11-15-8-9-16(26-5)17(10-15)27-6/h8-10H,7,11-12H2,1-6H3,(H,22,24)/p+1