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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium Traditional Name: 1-mesitylsulfonyl-4-p-anisyl-1,4-diazepan-4-ium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H30N2O3S/c1-17-14-18(2)22(19(3)15-17)28(25,26)24-11-5-10-23(12-13-24)16-20-6-8-21(27-4)9-7-20/h6-9,14-15H,5,10-13,16H2,1-4H3/p+1