1-(5-tert-butyl-2-methoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C16H27N2O3S+ MolecularWeight: 327.46218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H26N2O3S/c1-16(2,3)13-6-7-14(21-5)15(12-13)22(19,20)18-10-8-17(4)9-11-18/h6-7,12H,8-11H2,1-5H3/p+1