3-[4-[butyl(methyl)azaniumyl]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-pentanoate

Systemtic Name: 3-[4-[butyl(methyl)azaniumyl]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-pentanoate Openeye Name: 3-[3-[butyl(methyl)ammonio]-1-methyl-propyl]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-pentanoate CAS Name: 3-[4-[butyl(methyl)ammonio]butan-2-ylthio]-2-(6-methoxy-2-naphthalenyl)-2-methylpentanoate IUPAC Name: 3-[4-[butyl(methyl)azaniumyl]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methylpentanoate Traditional Name: 3-[[3-[butyl(methyl)ammonio]-1-methyl-propyl]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-valerate Formula: C26H39NO3S MolecularWeight: 445.65776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCC(C)SC(CC)C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CCCC[NH+](C)CCC(C)SC(CC)C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C26H39NO3S/c1-7-9-15-27(5)16-14-19(3)31-24(8-2)26(4,25(28)29)22-12-10-21-18-23(30-6)13-11-20(21)17-22/h10-13,17-19,24H,7-9,14-16H2,1-6H3,(H,28,29)