1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-m-anisyl-piperazin-4-ium Formula: C20H26ClN2O3S+ MolecularWeight: 409.95004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O3S/c1-15-12-20(16(2)11-19(15)21)27(24,25)23-9-7-22(8-10-23)14-17-5-4-6-18(13-17)26-3/h4-6,11-13H,7-10,14H2,1-3H3/p+1