1-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C16H27N2O4S+ MolecularWeight: 343.46158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C)OCC)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=CC(=C(C=C1C)OCC)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H26N2O4S/c1-5-21-14-12-16(15(22-6-2)11-13(14)3)23(19,20)18-9-7-17(4)8-10-18/h11-12H,5-10H2,1-4H3/p+1