1-[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,4-dichloro-3-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,4-dichloro-3-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,4-dichloro-3-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C18H21Cl2N2O2S+ MolecularWeight: 400.34254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1Cl)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H20Cl2N2O2S/c1-14-16(19)7-8-17(18(14)20)25(23,24)22-11-9-21(10-12-22)13-15-5-3-2-4-6-15/h2-8H,9-13H2,1H3/p+1