1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-(2-methylbenzyl)piperazin-4-ium Formula: C19H24ClN2O3S+ MolecularWeight: 395.92346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H23ClN2O3S/c1-15-5-3-4-6-16(15)14-21-9-11-22(12-10-21)26(23,24)19-13-17(20)7-8-18(19)25-2/h3-8,13H,9-12,14H2,1-2H3/p+1