4-butyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 4-butyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 4-butyl-N-[4-(1-piperidin-1-iumylmethyl)phenyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 4-butyl-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H30N2O2S/c1-2-3-7-19-10-14-22(15-11-19)27(25,26)23-21-12-8-20(9-13-21)18-24-16-5-4-6-17-24/h8-15,23H,2-7,16-18H2,1H3/p+1