1-[4-(aminomethyl)-4-phenyl-piperidin-1-yl]tetradecan-2-yl decanoate dihydrochloride

Systemtic Name: 1-[4-(aminomethyl)-4-phenyl-piperidin-1-yl]tetradecan-2-yl decanoate dihydrochloride Openeye Name: 1-[[4-(aminomethyl)-4-phenyl-1-piperidyl]methyl]tridecyl decanoate dihydrochloride CAS Name: decanoic acid 1-[4-(aminomethyl)-4-phenyl-1-piperidinyl]tetradecan-2-yl ester dihydrochloride IUPAC Name: 1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]tetradecan-2-yl decanoate dihydrochloride Traditional Name: capric acid 1-[[4-(aminomethyl)-4-phenyl-piperidino]methyl]tridecyl ester dihydrochloride Formula: C36H66Cl2N2O2 MolecularWeight: 629.82744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CN1CCC(CC1)(CN)C2=CC=CC=C2)OC(=O)CCCCCCCCC.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCC(CN1CCC(CC1)(CN)C2=CC=CC=C2)OC(=O)CCCCCCCCC.Cl.Cl

InChI

InChI=1S/C36H64N2O2.2ClH/c1-3-5-7-9-11-12-13-15-16-21-25-34(40-35(39)26-22-17-14-10-8-6-4-2)31-38-29-27-36(32-37,28-30-38)33-23-19-18-20-24-33;;/h18-20,23-24,34H,3-17,21-22,25-32,37H2,1-2H3;2*1H