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

Systemtic Name: 4-methoxy-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-6-prop-2-enyl-phenol Openeye Name: 2-allyl-6-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4-methoxy-6-prop-2-enylphenol IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-6-prop-2-enylphenol Traditional Name: 2-allyl-6-[(4-besylpiperazin-1-ium-1-yl)methyl]-4-methoxy-phenol Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)CC=C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C(=C1)CC=C)O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-3-7-17-14-19(27-2)15-18(21(17)24)16-22-10-12-23(13-11-22)28(25,26)20-8-5-4-6-9-20/h3-6,8-9,14-15,24H,1,7,10-13,16H2,2H3/p+1