N'-(pyren-1-ylmethyl)butane-1,4-diamine chloride

Systemtic Name: N'-(pyren-1-ylmethyl)butane-1,4-diamine chloride Openeye Name: N'-(pyren-1-ylmethyl)butane-1,4-diamine chloride CAS Name: N'-(1-pyrenylmethyl)butane-1,4-diamine chloride IUPAC Name: N'-(pyren-1-ylmethyl)butane-1,4-diamine chloride Traditional Name: 4-aminobutyl(pyren-1-ylmethyl)amine chloride Formula: C21H22ClN2- MolecularWeight: 337.86578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2.ClH/c22-12-1-2-13-23-14-18-9-8-17-7-6-15-4-3-5-16-10-11-19(18)21(17)20(15)16;/h3-11,23H,1-2,12-14,22H2;1H/p-1