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

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-(5-bromo-2-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(5-bromo-2-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(5-bromo-2-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C24H26BrN2O2S+ MolecularWeight: 486.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25BrN2O2S/c1-19-12-13-22(25)18-23(19)30(28,29)27-16-14-26(15-17-27)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3/p+1