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

Systemtic Name: butyl-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: butyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: butyl-[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-ethylammonium IUPAC Name: butyl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-ethylazanium Traditional Name: butyl-[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-ethyl-ammonium Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-4-7-13-23(5-2)14-18(24)22-20-19(21(25)26-6-3)17(15-27-20)16-11-9-8-10-12-16/h8-12,15H,4-7,13-14H2,1-3H3,(H,22,24)/p+1