N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-propyl-benzenesulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-propyl-benzenesulfonamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-propylbenzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-propylbenzenesulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-propyl-benzenesulfonamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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