4-[4,7-bis(azanyl)-5-(1-azanyl-3-methyl-butyl)-4-phenyl-undecyl]phenol trihydrochloride

Systemtic Name: 4-[4,7-bis(azanyl)-5-(1-azanyl-3-methyl-butyl)-4-phenyl-undecyl]phenol trihydrochloride Openeye Name: 4-[4,7-diamino-5-(1-amino-3-methyl-butyl)-4-phenyl-undecyl]phenol trihydrochloride CAS Name: 4-[4,7-diamino-5-(1-amino-3-methylbutyl)-4-phenylundecyl]phenol trihydrochloride IUPAC Name: 4-[4,7-diamino-5-(1-amino-3-methylbutyl)-4-phenylundecyl]phenol trihydrochloride Traditional Name: 4-[4,7-diamino-5-(1-amino-3-methyl-butyl)-4-phenyl-undecyl]phenol trihydrochloride Formula: C28H48Cl3N3O MolecularWeight: 549.05922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C(CC(C)C)N)C(CCCC1=CC=C(C=C1)O)(C2=CC=CC=C2)N)N.Cl.Cl.Cl

Isomeric SMILES

CCCCC(CC(C(CC(C)C)N)C(CCCC1=CC=C(C=C1)O)(C2=CC=CC=C2)N)N.Cl.Cl.Cl

InChI

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