1-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-4-ium

Systemtic Name: 1-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-4-ium Openeye Name: 1-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-4-ium CAS Name: 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-4-ium IUPAC Name: 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-4-ium Traditional Name: 1-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-4-ium Formula: C13H21N2O3S+ MolecularWeight: 285.38244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CC[NH2+]CC2)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CC[NH2+]CC2)OC

InChI

InChI=1S/C13H20N2O3S/c1-10-8-12(18-3)13(9-11(10)2)19(16,17)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3/p+1