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

Systemtic Name: 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(5-methyl-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium Formula: C18H24ClN2O3S+ MolecularWeight: 383.91276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C

InChI

InChI=1S/C18H23ClN2O3S/c1-13-11-18(14(2)10-17(13)19)25(22,23)21-8-6-20(7-9-21)12-16-5-4-15(3)24-16/h4-5,10-11H,6-9,12H2,1-3H3/p+1