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

Systemtic Name: 1-(2,5-dimethyl-4-propoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(2,5-dimethyl-4-propoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(2,5-dimethyl-4-propoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C16H27N2O3S+ MolecularWeight: 327.46218

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C16H26N2O3S/c1-5-10-21-15-11-14(3)16(12-13(15)2)22(19,20)18-8-6-17(4)7-9-18/h11-12H,5-10H2,1-4H3/p+1