(4-ethoxy-3-methoxy-phenyl)methyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC)OC

InChI

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