2-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(5-piperidinosulfonylpyridin-1-ium-2-yl)-3,4-dihydro-1H-isoquinoline Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H23N3O2S/c23-25(24,22-11-4-1-5-12-22)18-8-9-19(20-14-18)21-13-10-16-6-2-3-7-17(16)15-21/h2-3,6-9,14H,1,4-5,10-13,15H2/p+1