1-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-4-ium CAS Name: 1-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-4-ium Formula: C15H25N2O2S+ MolecularWeight: 297.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C15H24N2O2S/c1-15(2,3)13-5-7-14(8-6-13)20(18,19)17-11-4-9-16-10-12-17/h5-8,16H,4,9-12H2,1-3H3/p+1