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

Systemtic Name: 2-methoxy-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-4-prop-2-enyl-phenol Openeye Name: 4-allyl-2-methoxy-6-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-4-prop-2-enylphenol IUPAC Name: 2-methoxy-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-4-prop-2-enylphenol Traditional Name: 4-allyl-2-methoxy-6-[(4-tosyl-1,4-diazepan-1-ium-1-yl)methyl]phenol Formula: C23H31N2O4S+ MolecularWeight: 431.56824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=C(C(=CC(=C3)CC=C)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=C(C(=CC(=C3)CC=C)OC)O

InChI

InChI=1S/C23H30N2O4S/c1-4-6-19-15-20(23(26)22(16-19)29-3)17-24-11-5-12-25(14-13-24)30(27,28)21-9-7-18(2)8-10-21/h4,7-10,15-16,26H,1,5-6,11-14,17H2,2-3H3/p+1