[2,3-dimethoxy-6-[(4-octadecylpiperazin-1-yl)methyl]phenyl] benzoate dihydrochloride

Systemtic Name: [2,3-dimethoxy-6-[(4-octadecylpiperazin-1-yl)methyl]phenyl] benzoate dihydrochloride Openeye Name: [2,3-dimethoxy-6-[(4-octadecylpiperazin-1-yl)methyl]phenyl] benzoate dihydrochloride CAS Name: benzoic acid [2,3-dimethoxy-6-[(4-octadecyl-1-piperazinyl)methyl]phenyl] ester dihydrochloride IUPAC Name: [2,3-dimethoxy-6-[(4-octadecylpiperazin-1-yl)methyl]phenyl] benzoate dihydrochloride Traditional Name: benzoic acid [2,3-dimethoxy-6-[(4-stearylpiperazino)methyl]phenyl] ester dihydrochloride Formula: C38H62Cl2N2O4 MolecularWeight: 681.81588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C38H60N2O4.2ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-39-28-30-40(31-29-39)32-34-25-26-35(42-2)37(43-3)36(34)44-38(41)33-23-20-19-21-24-33;;/h19-21,23-26H,4-18,22,27-32H2,1-3H3;2*1H