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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H28N2O5S/c1-13-14(2)29-20(19(13)21(25)28-6)22-18(24)12-23(3)10-9-15-7-8-16(26-4)17(11-15)27-5/h7-8,11H,9-10,12H2,1-6H3,(H,22,24)/p+1