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

Systemtic Name: butyl-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: butyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: butyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: butyl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: butyl-[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-4-6-12-22(3)13-17(23)21-19-18(20(24)25-5-2)16(14-26-19)15-10-8-7-9-11-15/h7-11,14H,4-6,12-13H2,1-3H3,(H,21,23)/p+1