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

Systemtic Name: (2S)-2-methyl-1-[(3R)-piperidin-1-ium-3-yl]sulfonyl-3,4-dihydro-2H-quinoline Openeye Name: (2S)-2-methyl-1-[(3R)-piperidin-1-ium-3-yl]sulfonyl-3,4-dihydro-2H-quinoline CAS Name: (2S)-2-methyl-1-[[(3R)-3-piperidin-1-iumyl]sulfonyl]-3,4-dihydro-2H-quinoline IUPAC Name: (2S)-2-methyl-1-[(3R)-piperidin-1-ium-3-yl]sulfonyl-3,4-dihydro-2H-quinoline Traditional Name: (2S)-2-methyl-1-[(3R)-piperidin-1-ium-3-yl]sulfonyl-3,4-dihydro-2H-quinoline Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1S(=O)(=O)C3CCC[NH2+]C3

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1S(=O)(=O)[C@@H]3CCC[NH2+]C3

InChI

InChI=1S/C15H22N2O2S/c1-12-8-9-13-5-2-3-7-15(13)17(12)20(18,19)14-6-4-10-16-11-14/h2-3,5,7,12,14,16H,4,6,8-11H2,1H3/p+1/t12-,14+/m0/s1