2-isoquinolin-2-ium-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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