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

Systemtic Name: 2-[[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]ammonio]ethyl-diethyl-ammonium CAS Name: 2-[[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]ammonio]ethyl-diethylammonium IUPAC Name: 2-[[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]azaniumyl]ethyl-diethylazanium Traditional Name: 2-[[2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]ammonio]ethyl-diethyl-ammonium Formula: C20H35N3O3S+2 MolecularWeight: 397.5752

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC[NH2+]CC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC

InChI

InChI=1S/C20H33N3O3S/c1-5-23(6-2)11-10-21-13-17(24)22-19-18(20(25)26-7-3)15-9-8-14(4)12-16(15)27-19/h14,21H,5-13H2,1-4H3,(H,22,24)/p+2