2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)pyrrolidin-2-yl]sulfanyl-heptanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)pyrrolidin-2-yl]sulfanyl-heptanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[1-(methylammonio)pyrrolidin-2-yl]sulfanyl-heptanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[1-(methylammonio)-2-pyrrolidinyl]thio]heptanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)pyrrolidin-2-yl]sulfanylheptanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[1-(methylammonio)pyrrolidin-2-yl]thio]enanthate Formula: C24H34N2O3S MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3CCCN3[NH2+]C

Isomeric SMILES

CCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3CCCN3[NH2+]C

InChI

InChI=1S/C24H34N2O3S/c1-5-6-8-21(30-22-9-7-14-26(22)25-3)24(2,23(27)28)19-12-10-18-16-20(29-4)13-11-17(18)15-19/h10-13,15-16,21-22,25H,5-9,14H2,1-4H3,(H,27,28)