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

Systemtic Name: N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzenesulfonamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]benzenesulfonamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]benzenesulfonamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]benzenesulfonamide Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2O2S/c21-23(22,18-11-5-2-6-12-18)19-17-10-7-13-20(15-17)14-16-8-3-1-4-9-16/h1-6,8-9,11-12,17,19H,7,10,13-15H2/p+1/t17-/m0/s1