N'-methyl-N'-[3-(pyren-1-ylmethylamino)propyl]propane-1,3-diamine hydrochloride

Systemtic Name: N'-methyl-N'-[3-(pyren-1-ylmethylamino)propyl]propane-1,3-diamine hydrochloride Openeye Name: N'-methyl-N'-[3-(pyren-1-ylmethylamino)propyl]propane-1,3-diamine hydrochloride CAS Name: N'-methyl-N'-[3-(1-pyrenylmethylamino)propyl]propane-1,3-diamine hydrochloride IUPAC Name: N'-methyl-N'-[3-(pyren-1-ylmethylamino)propyl]propane-1,3-diamine hydrochloride Traditional Name: 3-aminopropyl-methyl-[3-(pyren-1-ylmethylamino)propyl]amine hydrochloride Formula: C24H30ClN3 MolecularWeight: 395.9681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN)CCCNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl

Isomeric SMILES

CN(CCCN)CCCNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.Cl

InChI

InChI=1S/C24H29N3.ClH/c1-27(15-3-13-25)16-4-14-26-17-21-10-9-20-8-7-18-5-2-6-19-11-12-22(21)24(20)23(18)19;/h2,5-12,26H,3-4,13-17,25H2,1H3;1H