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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)piperidin-3-yl]sulfanyl-heptanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[1-(methylammonio)-3-piperidyl]sulfanyl]heptanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[1-(methylammonio)-3-piperidinyl]thio]heptanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[1-(methylazaniumyl)piperidin-3-yl]sulfanylheptanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[1-(methylammonio)-3-piperidyl]thio]enanthate Formula: C25H36N2O3S MolecularWeight: 444.62994

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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-])SC3CCCN(C3)[NH2+]C

Isomeric SMILES

CCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-])SC3CCCN(C3)[NH2+]C

InChI

InChI=1S/C25H36N2O3S/c1-5-6-9-23(31-22-8-7-14-27(17-22)26-3)25(2,24(28)29)20-12-10-19-16-21(30-4)13-11-18(19)15-20/h10-13,15-16,22-23,26H,5-9,14,17H2,1-4H3,(H,28,29)