1-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium

Systemtic Name: 1-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium CAS Name: 1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Formula: C14H22BrN2O3S+ MolecularWeight: 378.30508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C14H21BrN2O3S/c1-3-20-13-6-5-12(15)11-14(13)21(18,19)17-8-4-7-16(2)9-10-17/h5-6,11H,3-4,7-10H2,1-2H3/p+1