[2-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium Openeye Name: allyl-[2-(4-benzamido-2,5-dimethoxy-anilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: [2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-prop-2-enyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium Traditional Name: allyl-[2-(4-benzamido-2,5-dimethoxy-anilino)-2-keto-ethyl]-(2-thenyl)ammonium Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C[NH+](CC=C)CC3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)C[NH+](CC=C)CC3=CC=CS3

InChI

InChI=1S/C25H27N3O4S/c1-4-12-28(16-19-11-8-13-33-19)17-24(29)26-20-14-23(32-3)21(15-22(20)31-2)27-25(30)18-9-6-5-7-10-18/h4-11,13-15H,1,12,16-17H2,2-3H3,(H,26,29)(H,27,30)/p+1