[7-(6-methoxynaphthalen-2-yl)-7-methyl-8-oxidanyl-8-oxidanylidene-octyl]sulfanyl-methyl-di(propan-2-yl)azanium

Systemtic Name: [7-(6-methoxynaphthalen-2-yl)-7-methyl-8-oxidanyl-8-oxidanylidene-octyl]sulfanyl-methyl-di(propan-2-yl)azanium Openeye Name: [8-hydroxy-7-(6-methoxy-2-naphthyl)-7-methyl-8-oxo-octyl]sulfanyl-diisopropyl-methyl-ammonium CAS Name: [[8-hydroxy-7-(6-methoxy-2-naphthalenyl)-7-methyl-8-oxooctyl]thio]-methyl-di(propan-2-yl)ammonium IUPAC Name: [8-hydroxy-7-(6-methoxynaphthalen-2-yl)-7-methyl-8-oxooctyl]sulfanyl-methyl-di(propan-2-yl)azanium Traditional Name: [[8-hydroxy-8-keto-7-(6-methoxy-2-naphthyl)-7-methyl-octyl]thio]-diisopropyl-methyl-ammonium Formula: C27H42NO3S+ MolecularWeight: 460.69228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(C(C)C)SCCCCCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)[N+](C)(C(C)C)SCCCCCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C27H41NO3S/c1-20(2)28(6,21(3)4)32-17-11-9-8-10-16-27(5,26(29)30)24-14-12-23-19-25(31-7)15-13-22(23)18-24/h12-15,18-21H,8-11,16-17H2,1-7H3/p+1