N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide chloride CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-(2-isoquinolin-2-iumyl)acetamide chloride IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-isoquinolin-2-ium-2-ylacetamide chloride Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide chloride Formula: C21H21Cl2N3O4S MolecularWeight: 482.38014

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Cl-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Cl-]

InChI

InChI=1S/C21H20ClN3O4S.ClH/c22-19-6-5-18(30(27,28)25-9-11-29-12-10-25)13-20(19)23-21(26)15-24-8-7-16-3-1-2-4-17(16)14-24;/h1-8,13-14H,9-12,15H2;1H