3-(4-ethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane

Systemtic Name: 3-(4-ethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Openeye Name: 3-(4-ethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane CAS Name: 3-(4-ethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane IUPAC Name: 3-(4-ethoxyphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Traditional Name: 3-p-phenetylsulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Formula: C13H21N3O3S+2 MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2C[NH+]3CC[NH+](C3)C2

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2C[NH+]3CC[NH+](C3)C2

InChI

InChI=1S/C13H19N3O3S/c1-2-19-12-3-5-13(6-4-12)20(17,18)16-10-14-7-8-15(9-14)11-16/h3-6H,2,7-11H2,1H3/p+2