3,6-bis(chloranyl)-N-[2-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[2-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[2-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[2-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[2-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[2-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]benzothiophene-2-carboxamide Formula: C22H22Cl2N3O3S+ MolecularWeight: 479.39938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O3S/c23-14-5-6-16-18(13-14)31-20(19(16)24)22(29)26-17-4-2-1-3-15(17)21(28)25-7-8-27-9-11-30-12-10-27/h1-6,13H,7-12H2,(H,25,28)(H,26,29)/p+1