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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(4-piperidinosulfonylphenyl)acetamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3O3S/c26-22(17-24-15-12-18-6-2-3-7-19(18)16-24)23-20-8-10-21(11-9-20)29(27,28)25-13-4-1-5-14-25/h2-3,6-12,15-16H,1,4-5,13-14,17H2/p+1