4-methoxy-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-prop-2-enyl-phenol

Systemtic Name: 4-methoxy-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-prop-2-enyl-phenol Openeye Name: 2-allyl-4-methoxy-6-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-methoxy-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6-prop-2-enylphenol IUPAC Name: 4-methoxy-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-prop-2-enylphenol Traditional Name: 2-allyl-4-methoxy-6-[(4-tosylpiperazin-1-ium-1-yl)methyl]phenol Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C(=CC(=C3)OC)CC=C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C(=CC(=C3)OC)CC=C)O

InChI

InChI=1S/C22H28N2O4S/c1-4-5-18-14-20(28-3)15-19(22(18)25)16-23-10-12-24(13-11-23)29(26,27)21-8-6-17(2)7-9-21/h4,6-9,14-15,25H,1,5,10-13,16H2,2-3H3/p+1