3-chloranyl-N-[2-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methylamino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methylamino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[(2-morpholinopyridin-1-ium-4-yl)methylamino]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[(2-morpholinopyridin-1-ium-4-yl)methylamino]ethyl]benzothiophene-2-carboxamide Formula: C21H22ClN4O3S+ MolecularWeight: 445.94238

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=CC(=C2)CNC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C=CC(=C2)CNC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H21ClN4O3S/c22-19-15-3-1-2-4-16(15)30-20(19)21(28)25-13-18(27)24-12-14-5-6-23-17(11-14)26-7-9-29-10-8-26/h1-6,11H,7-10,12-13H2,(H,24,27)(H,25,28)/p+1