1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2-chlorophenyl)methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[(2-chlorophenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(2-chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(2-chlorobenzyl)-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C21H22ClN2O2S+ MolecularWeight: 401.92958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21ClN2O2S/c22-21-8-4-3-7-19(21)16-23-11-13-24(14-12-23)27(25,26)20-10-9-17-5-1-2-6-18(17)15-20/h1-10,15H,11-14,16H2/p+1