2-isoquinolin-2-ium-2-yl-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(4-morpholinosulfonylphenyl)acetamide Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c25-21(16-23-10-9-17-3-1-2-4-18(17)15-23)22-19-5-7-20(8-6-19)29(26,27)24-11-13-28-14-12-24/h1-10,15H,11-14,16H2/p+1