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

Systemtic Name: 3,6-bis(chloranyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[4-(4-morpholin-4-iumylmethyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzothiophene-2-carboxamide Formula: C20H19Cl2N2O2S+ MolecularWeight: 422.34806

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O2S/c21-14-3-6-16-17(11-14)27-19(18(16)22)20(25)23-15-4-1-13(2-5-15)12-24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25)/p+1