N-[1-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-yl]benzenesulfonamide

Systemtic Name: N-[1-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-yl]benzenesulfonamide Openeye Name: N-[1-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-4-yl]benzenesulfonamide CAS Name: N-[1-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-4-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: N-[1-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperidin-1-ium-4-yl]benzenesulfonamide Traditional Name: N-[1-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperidin-1-ium-4-yl]benzenesulfonamide Formula: C22H24BrN2O3S+ MolecularWeight: 476.40656

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)C2=CC=CC=C2)CC3=C(C=CC4=C3C=CC(=C4)Br)O

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)C2=CC=CC=C2)CC3=C(C=CC4=C3C=CC(=C4)Br)O

InChI

InChI=1S/C22H23BrN2O3S/c23-17-7-8-20-16(14-17)6-9-22(26)21(20)15-25-12-10-18(11-13-25)24-29(27,28)19-4-2-1-3-5-19/h1-9,14,18,24,26H,10-13,15H2/p+1