N-[3-(azepan-1-ium-1-yl)propyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-propyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-propyl-benzenesulfonamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-propylbenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-propylbenzenesulfonamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-propyl-benzenesulfonamide Formula: C18H31N2O2S+ MolecularWeight: 339.51594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCCCC2

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCCCC2

InChI

InChI=1S/C18H30N2O2S/c1-2-8-17-9-11-18(12-10-17)23(21,22)19-13-7-16-20-14-5-3-4-6-15-20/h9-12,19H,2-8,13-16H2,1H3/p+1