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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-bromo-4-methoxy-phenyl)sulfonyl-4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-phenyl)sulfonyl-4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium Formula: C21H28BrN2O5S+ MolecularWeight: 500.42642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Br)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Br)OC)OC

InChI

InChI=1S/C21H27BrN2O5S/c1-15-11-20(28-3)21(29-4)12-16(15)14-23-7-9-24(10-8-23)30(25,26)17-5-6-19(27-2)18(22)13-17/h5-6,11-13H,7-10,14H2,1-4H3/p+1