1-[(3-chlorophenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-ium CAS Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(3-chlorobenzyl)sulfonyl-piperazin-1-ium Formula: C18H22ClN2O2S+ MolecularWeight: 365.89748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CC3=CC(=CC=C3)Cl

InChI

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