2-[(3S)-piperidin-1-ium-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-piperidin-1-ium-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-piperidin-1-ium-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[(3S)-3-piperidin-1-iumyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-piperidin-1-ium-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-piperidin-1-ium-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C14H21N2O2S+ MolecularWeight: 281.39374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C14H20N2O2S/c17-19(18,14-6-3-8-15-10-14)16-9-7-12-4-1-2-5-13(12)11-16/h1-2,4-5,14-15H,3,6-11H2/p+1/t14-/m0/s1