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

Systemtic Name: (2,3-dimethoxyphenyl)methyl-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2,3-dimethoxyphenyl)methyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (2,3-dimethoxyphenyl)methyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (2,3-dimethoxyphenyl)methyl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-methyl-o-veratryl-ammonium Formula: C25H29N2O5S+ MolecularWeight: 469.57316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C25H28N2O5S/c1-5-32-25(29)22-19(17-10-7-6-8-11-17)16-33-24(22)26-21(28)15-27(2)14-18-12-9-13-20(30-3)23(18)31-4/h6-13,16H,5,14-15H2,1-4H3,(H,26,28)/p+1