2-(6-methoxynaphthalen-2-yl)-2-methyl-7-(trimethylazaniumyl)sulfanyl-heptanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-7-(trimethylazaniumyl)sulfanyl-heptanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-7-(trimethylammonio)sulfanyl-heptanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-7-[(trimethylammonio)thio]heptanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-7-(trimethylazaniumyl)sulfanylheptanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-7-[(trimethylammonio)thio]enanthate Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3S/c1-22(21(24)25,13-7-6-8-14-27-23(2,3)4)19-11-9-18-16-20(26-5)12-10-17(18)15-19/h9-12,15-16H,6-8,13-14H2,1-5H3