1-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium Traditional Name: 1-mesitylsulfonyl-4-methyl-1,4-diazepan-4-ium Formula: C15H25N2O2S+ MolecularWeight: 297.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC[NH+](CC2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC[NH+](CC2)C)C

InChI

InChI=1S/C15H24N2O2S/c1-12-10-13(2)15(14(3)11-12)20(18,19)17-7-5-6-16(4)8-9-17/h10-11H,5-9H2,1-4H3/p+1