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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-[[1-(methylazaniumyl)piperidin-2-yl]methyl]octanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-[[1-(methylammonio)-2-piperidyl]methyl]octanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-[[1-(methylammonio)-2-piperidinyl]methyl]octanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-[[1-(methylazaniumyl)piperidin-2-yl]methyl]octanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-[[1-(methylammonio)-2-piperidyl]methyl]caprylate Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1CCCCN1[NH2+]C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCCCCCC(CC1CCCCN1[NH2+]C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C26H38N2O3/c1-4-5-6-8-15-26(25(29)30,19-23-10-7-9-16-28(23)27-2)22-13-11-21-18-24(31-3)14-12-20(21)17-22/h11-14,17-18,23,27H,4-10,15-16,19H2,1-3H3,(H,29,30)