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

Systemtic Name: 3-[[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]ammonio]propyl-dimethyl-ammonium Formula: C18H31N3O3S+2 MolecularWeight: 369.52204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH2+]CCC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C18H29N3O3S/c1-4-24-18(23)16-13-8-5-6-9-14(13)25-17(16)20-15(22)12-19-10-7-11-21(2)3/h19H,4-12H2,1-3H3,(H,20,22)/p+2