N-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-methoxyphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-methoxyphenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-methoxyphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-methoxyphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C22H27N3O4S/c1-28-17-8-4-3-7-16(17)23-21(27)20-15-6-2-5-9-18(15)30-22(20)24-19(26)14-25-10-12-29-13-11-25/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,23,27)(H,24,26)/p+1