2-(3-azanylpropyl)-5-octadecoxy-1-(phenylmethyl)pyridin-4-one dihydrochloride

Systemtic Name: 2-(3-azanylpropyl)-5-octadecoxy-1-(phenylmethyl)pyridin-4-one dihydrochloride Openeye Name: 2-(3-aminopropyl)-1-benzyl-5-octadecoxy-pyridin-4-one dihydrochloride CAS Name: 2-(3-aminopropyl)-5-octadecoxy-1-(phenylmethyl)-4-pyridinone dihydrochloride IUPAC Name: 2-(3-aminopropyl)-1-benzyl-5-octadecoxypyridin-4-one dihydrochloride Traditional Name: 2-(3-aminopropyl)-1-benzyl-5-stearyloxy-4-pyridone dihydrochloride Formula: C33H56Cl2N2O2 MolecularWeight: 583.71594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CCCN)CC2=CC=CC=C2.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CCCN)CC2=CC=CC=C2.Cl.Cl

InChI

InChI=1S/C33H54N2O2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-37-33-29-35(28-30-22-18-17-19-23-30)31(24-21-25-34)27-32(33)36;;/h17-19,22-23,27,29H,2-16,20-21,24-26,28,34H2,1H3;2*1H