dibutyl-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: dibutyl-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: dibutyl-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]ammonium CAS Name: dibutyl-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]ammonium IUPAC Name: dibutyl-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: dibutyl-[2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]ammonium Formula: C21H35N2O3S+ MolecularWeight: 395.5792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCCC[NH+](CCCC)CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C21H34N2O3S/c1-4-7-13-23(14-8-5-2)15-18(24)22-20-19(21(25)26-6-3)16-11-9-10-12-17(16)27-20/h4-15H2,1-3H3,(H,22,24)/p+1