1-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C19H24BrN2O3S+ MolecularWeight: 440.37446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C19H23BrN2O3S/c1-15-12-18(25-2)19(13-17(15)20)26(23,24)22-10-8-21(9-11-22)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3/p+1