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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl-di(propan-2-yl)azaniumyl]sulfanyl-hexanoate Openeye Name: 6-[diisopropyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-6-[[methyl-di(propan-2-yl)ammonio]thio]hexanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-6-[methyl-di(propan-2-yl)azaniumyl]sulfanylhexanoate Traditional Name: 6-[[diisopropyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoate Formula: C25H37NO3S MolecularWeight: 431.63118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO3S/c1-18(2)26(6,19(3)4)30-15-9-8-14-25(5,24(27)28)22-12-10-21-17-23(29-7)13-11-20(21)16-22/h10-13,16-19H,8-9,14-15H2,1-7H3