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

Systemtic Name: 2-[[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]ammonio]ethyl-diethyl-ammonium CAS Name: 2-[[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]ammonio]ethyl-diethylammonium IUPAC Name: 2-[[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]azaniumyl]ethyl-diethylazanium Traditional Name: 2-[[2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]ammonio]ethyl-diethyl-ammonium Formula: C19H33N3O3S+2 MolecularWeight: 383.54862

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC[NH2+]CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C19H31N3O3S/c1-4-22(5-2)12-11-20-13-16(23)21-18-17(19(24)25-6-3)14-9-7-8-10-15(14)26-18/h20H,4-13H2,1-3H3,(H,21,23)/p+2