1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[4-(2-methylphenoxy)phenyl]sulfonyl-piperazin-1-ium Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H22N2O3S/c1-15-5-3-4-6-18(15)23-16-7-9-17(10-8-16)24(21,22)20-13-11-19(2)12-14-20/h3-10H,11-14H2,1-2H3/p+1