[2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-bis(prop-2-enyl)azanium

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-bis(prop-2-enyl)azanium Openeye Name: diallyl-[2-[[3-ethoxycarbonyl-4-(p-tolyl)-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)-2-thiophenyl]amino]-2-oxoethyl]-bis(prop-2-enyl)ammonium IUPAC Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl]-bis(prop-2-enyl)azanium Traditional Name: diallyl-[2-[[3-carbethoxy-4-(p-tolyl)-2-thienyl]amino]-2-keto-ethyl]ammonium Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-5-12-24(13-6-2)14-19(25)23-21-20(22(26)27-7-3)18(15-28-21)17-10-8-16(4)9-11-17/h5-6,8-11,15H,1-2,7,12-14H2,3-4H3,(H,23,25)/p+1