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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-4-12-23(13-5-2)14-18(24)22-20-19(21(25)26-6-3)17(15-27-20)16-10-8-7-9-11-16/h7-11,15H,4-6,12-14H2,1-3H3,(H,22,24)/p+1