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

Systemtic Name: butyl-ethyl-[6-(6-methoxynaphthalen-2-yl)-6-methyl-7-oxidanyl-7-oxidanylidene-heptyl]sulfanyl-methyl-azanium Openeye Name: butyl-ethyl-[7-hydroxy-6-(6-methoxy-2-naphthyl)-6-methyl-7-oxo-heptyl]sulfanyl-methyl-ammonium CAS Name: butyl-ethyl-[[7-hydroxy-6-(6-methoxy-2-naphthalenyl)-6-methyl-7-oxoheptyl]thio]-methylammonium IUPAC Name: butyl-ethyl-[7-hydroxy-6-(6-methoxynaphthalen-2-yl)-6-methyl-7-oxoheptyl]sulfanyl-methylazanium Traditional Name: butyl-ethyl-[[7-hydroxy-7-keto-6-(6-methoxy-2-naphthyl)-6-methyl-heptyl]thio]-methyl-ammonium Formula: C26H40NO3S+ MolecularWeight: 446.6657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39NO3S/c1-6-8-17-27(4,7-2)31-18-11-9-10-16-26(3,25(28)29)23-14-12-22-20-24(30-5)15-13-21(22)19-23/h12-15,19-20H,6-11,16-18H2,1-5H3/p+1