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

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-dipropyl-azanium Openeye Name: [2-[[3-ethoxycarbonyl-4-(p-tolyl)-2-thienyl]amino]-2-oxo-ethyl]-dipropyl-ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)-2-thiophenyl]amino]-2-oxoethyl]-dipropylammonium IUPAC Name: [2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl]-dipropylazanium Traditional Name: [2-[[3-carbethoxy-4-(p-tolyl)-2-thienyl]amino]-2-keto-ethyl]-dipropyl-ammonium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCC[NH+](CCC)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C22H30N2O3S/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/h8-11,15H,5-7,12-14H2,1-4H3,(H,23,25)/p+1