N'-[4-(pyren-1-ylmethylamino)butyl]butane-1,4-diamine trichloride

Systemtic Name: N'-[4-(pyren-1-ylmethylamino)butyl]butane-1,4-diamine trichloride Openeye Name: N'-[4-(pyren-1-ylmethylamino)butyl]butane-1,4-diamine trichloride CAS Name: N'-[4-(1-pyrenylmethylamino)butyl]butane-1,4-diamine trichloride IUPAC Name: N'-[4-(pyren-1-ylmethylamino)butyl]butane-1,4-diamine trichloride Traditional Name: 4-aminobutyl-[4-(pyren-1-ylmethylamino)butyl]amine trichloride Formula: C25H31Cl3N3-3 MolecularWeight: 479.89274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCCNCCCCN.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCCNCCCCN.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C25H31N3.3ClH/c26-14-1-2-15-27-16-3-4-17-28-18-22-11-10-21-9-8-19-6-5-7-20-12-13-23(22)25(21)24(19)20;;;/h5-13,27-28H,1-4,14-18,26H2;3*1H/p-3