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

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethanoylamino)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCOCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCOCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S/c25-18(14-24-10-12-27-13-11-24)23-21-19(16-8-4-5-9-17(16)28-21)20(26)22-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,22,26)(H,23,25)/p+1