1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium Formula: C21H28BrN2O6S+ MolecularWeight: 516.42582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C21H27BrN2O6S/c1-27-17-8-6-16(22)13-19(17)31(25,26)24-11-9-23(10-12-24)14-15-5-7-18(28-2)21(30-4)20(15)29-3/h5-8,13H,9-12,14H2,1-4H3/p+1