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

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C21H21ClN3O4S+ MolecularWeight: 446.92714

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S/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/p+1