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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27ClN3O4S+ MolecularWeight: 464.98548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C22H26ClN3O4S/c1-29-17-7-6-14(23)12-16(17)24-21(28)20-15-4-2-3-5-18(15)31-22(20)25-19(27)13-26-8-10-30-11-9-26/h6-7,12H,2-5,8-11,13H2,1H3,(H,24,28)(H,25,27)/p+1