N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-4-propan-2-yl-benzenesulfonamide Openeye Name: 4-isopropyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: N-[4-(1-piperidin-1-iumylmethyl)phenyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-4-propan-2-ylbenzenesulfonamide Traditional Name: 4-isopropyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H28N2O2S/c1-17(2)19-8-12-21(13-9-19)26(24,25)22-20-10-6-18(7-11-20)16-23-14-4-3-5-15-23/h6-13,17,22H,3-5,14-16H2,1-2H3/p+1