1-(5-chloranyl-2-methyl-phenyl)-4-naphthalen-2-ylsulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-naphthalen-2-ylsulfonyl-piperazin-1-ium chloride Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(2-naphthylsulfonyl)piperazin-1-ium chloride CAS Name: 1-(5-chloro-2-methylphenyl)-4-(2-naphthalenylsulfonyl)piperazin-1-ium chloride IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium chloride Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(2-naphthylsulfonyl)piperazin-1-ium chloride Formula: C21H22Cl2N2O2S MolecularWeight: 437.38258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

InChI

InChI=1S/C21H21ClN2O2S.ClH/c1-16-6-8-19(22)15-21(16)23-10-12-24(13-11-23)27(25,26)20-9-7-17-4-2-3-5-18(17)14-20;/h2-9,14-15H,10-13H2,1H3;1H