1-(4-bromanyl-3-propoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-3-propoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-bromo-3-propoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(4-bromo-3-propoxyphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(4-bromo-3-propoxyphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(4-bromo-3-propoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C14H22BrN2O3S+ MolecularWeight: 378.30508

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)Br

Isomeric SMILES

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)Br

InChI

InChI=1S/C14H21BrN2O3S/c1-3-10-20-14-11-12(4-5-13(14)15)21(18,19)17-8-6-16(2)7-9-17/h4-5,11H,3,6-10H2,1-2H3/p+1