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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-[[1-(methylazaniumyl)piperidin-3-yl]methyl]heptanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-[[1-(methylammonio)-3-piperidyl]methyl]heptanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-[[1-(methylammonio)-3-piperidinyl]methyl]heptanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-[[1-(methylazaniumyl)piperidin-3-yl]methyl]heptanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-[[1-(methylammonio)-3-piperidyl]methyl]enanthate Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1CCCN(C1)[NH2+]C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCCCCC(CC1CCCN(C1)[NH2+]C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C25H36N2O3/c1-4-5-6-13-25(24(28)29,17-19-8-7-14-27(18-19)26-2)22-11-9-21-16-23(30-3)12-10-20(21)15-22/h9-12,15-16,19,26H,4-8,13-14,17-18H2,1-3H3,(H,28,29)