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

Systemtic Name: 1-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C25H28BrN2O3S+ MolecularWeight: 516.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H27BrN2O3S/c1-19-17-23(31-2)24(18-22(19)26)32(29,30)28-15-13-27(14-16-28)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17-18,25H,13-16H2,1-2H3/p+1