1-(4-bromanyl-3-methoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-3-methoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-bromo-3-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-bromo-3-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(4-bromo-3-methoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C18H22BrN2O3S+ MolecularWeight: 426.34788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3S/c1-24-18-13-16(7-8-17(18)19)25(22,23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3/p+1