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

Systemtic Name: 7-[diethyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-heptanoate Openeye Name: 7-[diethyl(methyl)ammonio]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-heptanoate CAS Name: 7-[[diethyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylheptanoate IUPAC Name: 7-[diethyl(methyl)azaniumyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylheptanoate Traditional Name: 7-[[diethyl(methyl)ammonio]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-enanthate Formula: C24H35NO3S MolecularWeight: 417.6046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO3S/c1-6-25(4,7-2)29-16-10-8-9-15-24(3,23(26)27)21-13-11-20-18-22(28-5)14-12-19(20)17-21/h11-14,17-18H,6-10,15-16H2,1-5H3