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

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-propyl-piperazin-4-ium Openeye Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-propyl-piperazin-4-ium CAS Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-propylpiperazin-4-ium IUPAC Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-propylpiperazin-4-ium Traditional Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-propyl-piperazin-4-ium Formula: C14H22BrN2O3S+ MolecularWeight: 378.30508

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Br)OC

InChI

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