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

Systemtic Name: [6-[(4-hexadecylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate dihydrochloride Openeye Name: [6-[(4-hexadecylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] benzoate dihydrochloride CAS Name: benzoic acid [6-[(4-hexadecyl-1-piperazinyl)methyl]-2,3-dimethoxyphenyl] ester dihydrochloride IUPAC Name: [6-[(4-hexadecylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] benzoate dihydrochloride Traditional Name: benzoic acid [6-[(4-cetylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester dihydrochloride Formula: C36H58Cl2N2O4 MolecularWeight: 653.76272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC(=O)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C36H56N2O4.2ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-37-26-28-38(29-27-37)30-32-23-24-33(40-2)35(41-3)34(32)42-36(39)31-21-18-17-19-22-31;;/h17-19,21-24H,4-16,20,25-30H2,1-3H3;2*1H