7-methoxy-1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 7-methoxy-1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 7-methoxy-1-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 7-methoxy-1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-2-naphthalenol IUPAC Name: 7-methoxy-1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 7-methoxy-1-[(4-tosyl-1,4-diazepan-1-ium-1-yl)methyl]-2-naphthol Formula: C24H29N2O4S+ MolecularWeight: 441.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=C(C=CC4=C3C=C(C=C4)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=C(C=CC4=C3C=C(C=C4)OC)O

InChI

InChI=1S/C24H28N2O4S/c1-18-4-9-21(10-5-18)31(28,29)26-13-3-12-25(14-15-26)17-23-22-16-20(30-2)8-6-19(22)7-11-24(23)27/h4-11,16,27H,3,12-15,17H2,1-2H3/p+1