4-bromanyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-3-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methylbenzenesulfonamide Traditional Name: 4-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-benzenesulfonamide Formula: C21H29BrN3O3S+ MolecularWeight: 483.44226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)Br

InChI

InChI=1S/C21H28BrN3O3S/c1-17-16-20(8-9-21(17)22)29(26,27)23-10-3-11-24-12-14-25(15-13-24)18-4-6-19(28-2)7-5-18/h4-9,16,23H,3,10-15H2,1-2H3/p+1