1-(4-chlorophenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepan-4-ium

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepan-4-ium Openeye Name: 1-benzyl-4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepan-4-ium IUPAC Name: 1-benzyl-4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-ium Traditional Name: 1-benzyl-4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-ium Formula: C18H22ClN2O2S+ MolecularWeight: 365.89748

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H21ClN2O2S/c19-17-7-9-18(10-8-17)24(22,23)21-12-4-11-20(13-14-21)15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2/p+1