1-(4-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-(p-tolylmethyl)-1,4-diazepan-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(4-methylbenzyl)-1,4-diazepan-4-ium Formula: C19H24ClN2O2S+ MolecularWeight: 379.92406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN2O2S/c1-16-3-5-17(6-4-16)15-21-11-2-12-22(14-13-21)25(23,24)19-9-7-18(20)8-10-19/h3-10H,2,11-15H2,1H3/p+1