2-(6-methoxynaphthalen-2-yl)-2-methyl-5-[methyl-di(propan-2-yl)azaniumyl]sulfanyl-pentanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-5-[methyl-di(propan-2-yl)azaniumyl]sulfanyl-pentanoate Openeye Name: 5-[diisopropyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-pentanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-5-[[methyl-di(propan-2-yl)ammonio]thio]pentanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-5-[methyl-di(propan-2-yl)azaniumyl]sulfanylpentanoate Traditional Name: 5-[[diisopropyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-valerate Formula: C24H35NO3S MolecularWeight: 417.6046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO3S/c1-17(2)25(6,18(3)4)29-14-8-13-24(5,23(26)27)21-11-9-20-16-22(28-7)12-10-19(20)15-21/h9-12,15-18H,8,13-14H2,1-7H3