N'-cyclohexyl-N-(pyren-1-ylmethyl)propane-1,3-diamine hydrochloride

Systemtic Name: N'-cyclohexyl-N-(pyren-1-ylmethyl)propane-1,3-diamine hydrochloride Openeye Name: N'-cyclohexyl-N-(pyren-1-ylmethyl)propane-1,3-diamine hydrochloride CAS Name: N'-cyclohexyl-N-(1-pyrenylmethyl)propane-1,3-diamine hydrochloride IUPAC Name: N'-cyclohexyl-N-(pyren-1-ylmethyl)propane-1,3-diamine hydrochloride Traditional Name: cyclohexyl-[3-(pyren-1-ylmethylamino)propyl]amine hydrochloride Formula: C26H31ClN2 MolecularWeight: 406.99074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.Cl

Isomeric SMILES

C1CCC(CC1)NCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.Cl

InChI

InChI=1S/C26H30N2.ClH/c1-2-8-23(9-3-1)28-17-5-16-27-18-22-13-12-21-11-10-19-6-4-7-20-14-15-24(22)26(21)25(19)20;/h4,6-7,10-15,23,27-28H,1-3,5,8-9,16-18H2;1H