4-phenyl-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide

Systemtic Name: 4-phenyl-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-4-phenyl-benzenesulfonamide CAS Name: 4-phenyl-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: 4-phenyl-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzenesulfonamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-4-phenyl-benzenesulfonamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)CNS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2S/c1-17(2)23-14-12-18(13-15-23)16-22-26(24,25)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17-18,22H,12-16H2,1-2H3/p+1