4-[2-(2-azanylhexylamino)-3-[(5-methyl-1-phenyl-hexan-3-yl)amino]propyl]phenol trihydrochloride

Systemtic Name: 4-[2-(2-azanylhexylamino)-3-[(5-methyl-1-phenyl-hexan-3-yl)amino]propyl]phenol trihydrochloride Openeye Name: 4-[2-(2-aminohexylamino)-3-[(3-methyl-1-phenethyl-butyl)amino]propyl]phenol trihydrochloride CAS Name: 4-[2-(2-aminohexylamino)-3-[(5-methyl-1-phenylhexan-3-yl)amino]propyl]phenol trihydrochloride IUPAC Name: 4-[2-(2-aminohexylamino)-3-[(5-methyl-1-phenylhexan-3-yl)amino]propyl]phenol trihydrochloride Traditional Name: 4-[2-(2-aminohexylamino)-3-[(3-methyl-1-phenethyl-butyl)amino]propyl]phenol trihydrochloride Formula: C28H48Cl3N3O MolecularWeight: 549.05922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC(CC1=CC=C(C=C1)O)CNC(CCC2=CC=CC=C2)CC(C)C)N.Cl.Cl.Cl

Isomeric SMILES

CCCCC(CNC(CC1=CC=C(C=C1)O)CNC(CCC2=CC=CC=C2)CC(C)C)N.Cl.Cl.Cl

InChI

InChI=1S/C28H45N3O.3ClH/c1-4-5-11-25(29)20-30-27(19-24-13-16-28(32)17-14-24)21-31-26(18-22(2)3)15-12-23-9-7-6-8-10-23;;;/h6-10,13-14,16-17,22,25-27,30-32H,4-5,11-12,15,18-21,29H2,1-3H3;3*1H