2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H31N3O3S/c1-30-19-12-6-5-11-18(19)25-23(29)22-17-10-4-7-13-20(17)31-24(22)26-21(28)16-27-14-8-2-3-9-15-27/h5-6,11-12H,2-4,7-10,13-16H2,1H3,(H,25,29)(H,26,28)/p+1