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

Systemtic Name: 6-[diethyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-hexanoate Openeye Name: 6-[diethyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoate CAS Name: 6-[[diethyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylhexanoate IUPAC Name: 6-[diethyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylhexanoate Traditional Name: 6-[[diethyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoate Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO3S/c1-6-24(4,7-2)28-15-9-8-14-23(3,22(25)26)20-12-10-19-17-21(27-5)13-11-18(19)16-20/h10-13,16-17H,6-9,14-15H2,1-5H3