7-(butyl-ethyl-methyl-azaniumyl)sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-heptanoate

Systemtic Name: 7-(butyl-ethyl-methyl-azaniumyl)sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-heptanoate Openeye Name: 7-(butyl-ethyl-methyl-ammonio)sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-heptanoate CAS Name: 7-[(butyl-ethyl-methylammonio)thio]-2-(6-methoxy-2-naphthalenyl)-2-methylheptanoate IUPAC Name: 7-(butyl-ethyl-methylazaniumyl)sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylheptanoate Traditional Name: 7-[(butyl-ethyl-methyl-ammonio)thio]-2-(6-methoxy-2-naphthyl)-2-methyl-enanthate Formula: C26H39NO3S MolecularWeight: 445.65776

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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