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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO3S/c1-6-8-18-28(4,7-2)32-19-12-10-9-11-17-27(3,26(29)30)24-15-13-23-21-25(31-5)16-14-22(23)20-24/h13-16,20-21H,6-12,17-19H2,1-5H3/p+1