[2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: [2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: [2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-4-methyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [2-[(3-carbethoxy-4-methyl-5-phenyl-2-thienyl)amino]-2-keto-ethyl]-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC(=O)NC1=C(C(=C(S1)C2=CC=CC=C2)C)C(=O)OCC

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC(=O)NC1=C(C(=C(S1)C2=CC=CC=C2)C)C(=O)OCC

InChI

InChI=1S/C22H29N3O4S/c1-5-12-23-17(26)13-25(4)14-18(27)24-21-19(22(28)29-6-2)15(3)20(30-21)16-10-8-7-9-11-16/h7-11H,5-6,12-14H2,1-4H3,(H,23,26)(H,24,27)/p+1