3-methyl-N-[(3S)-piperidin-1-ium-3-yl]benzenesulfonamide

Systemtic Name: 3-methyl-N-[(3S)-piperidin-1-ium-3-yl]benzenesulfonamide Openeye Name: 3-methyl-N-[(3S)-piperidin-1-ium-3-yl]benzenesulfonamide CAS Name: 3-methyl-N-[(3S)-3-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: 3-methyl-N-[(3S)-piperidin-1-ium-3-yl]benzenesulfonamide Traditional Name: 3-methyl-N-[(3S)-piperidin-1-ium-3-yl]benzenesulfonamide Formula: C12H19N2O2S+ MolecularWeight: 255.35646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2CCC[NH2+]C2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C12H18N2O2S/c1-10-4-2-6-12(8-10)17(15,16)14-11-5-3-7-13-9-11/h2,4,6,8,11,13-14H,3,5,7,9H2,1H3/p+1/t11-/m0/s1