1-[[5-octadecoxy-4-oxidanylidene-1-(phenylmethyl)pyridin-2-yl]methyl]-4-phenyl-piperidine-4-carbonitrile dihydrochloride

Systemtic Name: 1-[[5-octadecoxy-4-oxidanylidene-1-(phenylmethyl)pyridin-2-yl]methyl]-4-phenyl-piperidine-4-carbonitrile dihydrochloride Openeye Name: 1-[(1-benzyl-5-octadecoxy-4-oxo-2-pyridyl)methyl]-4-phenyl-piperidine-4-carbonitrile dihydrochloride CAS Name: 1-[[5-octadecoxy-4-oxo-1-(phenylmethyl)-2-pyridinyl]methyl]-4-phenyl-4-piperidinecarbonitrile dihydrochloride IUPAC Name: 1-[(1-benzyl-5-octadecoxy-4-oxopyridin-2-yl)methyl]-4-phenylpiperidine-4-carbonitrile dihydrochloride Traditional Name: 1-[(1-benzyl-4-keto-5-stearyloxy-2-pyridyl)methyl]-4-phenyl-isonipecotonitrile dihydrochloride Formula: C43H63Cl2N3O2 MolecularWeight: 724.88522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCC(CC2)(C#N)C3=CC=CC=C3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCC(CC2)(C#N)C3=CC=CC=C3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C43H61N3O2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32-48-42-36-46(34-38-24-19-17-20-25-38)40(33-41(42)47)35-45-30-28-43(37-44,29-31-45)39-26-21-18-22-27-39;;/h17-22,24-27,33,36H,2-16,23,28-32,34-35H2,1H3;2*1H