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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC=C

InChI

InChI=1S/C22H28N2O4S/c1-3-7-19-14-20(22(25)21(15-19)28-2)16-23-10-12-24(13-11-23)29(26,27)17-18-8-5-4-6-9-18/h3-6,8-9,14-15,25H,1,7,10-13,16-17H2,2H3/p+1