1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-(furan-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-4-(furan-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-(2-furylmethyl)piperazin-4-ium CAS Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2-furanylmethyl)piperazin-4-ium IUPAC Name: 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-4-(2-furfuryl)piperazin-4-ium Formula: C17H22ClN2O3S+ MolecularWeight: 369.88618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C17H21ClN2O3S/c1-13-11-17(14(2)10-16(13)18)24(21,22)20-7-5-19(6-8-20)12-15-4-3-9-23-15/h3-4,9-11H,5-8,12H2,1-2H3/p+1