2-isoquinolin-2-ium-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N3O3S/c25-21(16-23-13-10-17-6-1-2-7-18(17)15-23)22-19-8-5-9-20(14-19)28(26,27)24-11-3-4-12-24/h1-2,5-10,13-15H,3-4,11-12,16H2/p+1