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

Systemtic Name: N'-(pyren-1-ylmethyl)butane-1,4-diamine dihydrochloride Openeye Name: N'-(pyren-1-ylmethyl)butane-1,4-diamine dihydrochloride CAS Name: N'-(1-pyrenylmethyl)butane-1,4-diamine dihydrochloride IUPAC Name: N'-(pyren-1-ylmethyl)butane-1,4-diamine dihydrochloride Traditional Name: 4-aminobutyl(pyren-1-ylmethyl)amine dihydrochloride Formula: C21H24Cl2N2 MolecularWeight: 375.33466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2.2ClH/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;2*1H