[2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: [2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl]-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: [2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl]-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC(=O)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC(=O)NC1=C(SC(=C1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H27N3O4S/c1-4-11-22-18(25)13-24(3)14-19(26)23-16-12-17(15-9-7-6-8-10-15)29-20(16)21(27)28-5-2/h6-10,12H,4-5,11,13-14H2,1-3H3,(H,22,25)(H,23,26)/p+1