2-hexadecyl-3,6-bis(methylaminomethyl)-5-propyl-benzene-1,4-diol hydrochloride

Systemtic Name: 2-hexadecyl-3,6-bis(methylaminomethyl)-5-propyl-benzene-1,4-diol hydrochloride Openeye Name: 2-hexadecyl-3,6-bis(methylaminomethyl)-5-propyl-benzene-1,4-diol hydrochloride CAS Name: 2-hexadecyl-3,6-bis(methylaminomethyl)-5-propylbenzene-1,4-diol hydrochloride IUPAC Name: 2-hexadecyl-3,6-bis(methylaminomethyl)-5-propylbenzene-1,4-diol hydrochloride Traditional Name: 2-cetyl-3,6-bis(methylaminomethyl)-5-propyl-hydroquinone hydrochloride Formula: C29H55ClN2O2 MolecularWeight: 499.2122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1CNC)O)CCC)CNC)O.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1CNC)O)CCC)CNC)O.Cl

InChI

InChI=1S/C29H54N2O2.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-27(23-31-4)28(32)24(20-6-2)26(22-30-3)29(25)33;/h30-33H,5-23H2,1-4H3;1H