N-(pyren-1-ylmethyl)propan-1-amine hydrochloride

Systemtic Name: N-(pyren-1-ylmethyl)propan-1-amine hydrochloride Openeye Name: N-(pyren-1-ylmethyl)propan-1-amine hydrochloride CAS Name: N-(1-pyrenylmethyl)-1-propanamine hydrochloride IUPAC Name: N-(pyren-1-ylmethyl)propan-1-amine hydrochloride Traditional Name: propyl(pyren-1-ylmethyl)amine hydrochloride Formula: C20H20ClN MolecularWeight: 309.8325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N.ClH/c1-2-12-21-13-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15;/h3-11,21H,2,12-13H2,1H3;1H