3-phenyl-N-(pyren-1-ylmethyl)propan-1-amine chloride

Systemtic Name: 3-phenyl-N-(pyren-1-ylmethyl)propan-1-amine chloride Openeye Name: 3-phenyl-N-(pyren-1-ylmethyl)propan-1-amine chloride CAS Name: 3-phenyl-N-(1-pyrenylmethyl)-1-propanamine chloride IUPAC Name: 3-phenyl-N-(pyren-1-ylmethyl)propan-1-amine chloride Traditional Name: 3-phenylpropyl(pyren-1-ylmethyl)amine chloride Formula: C26H23ClN- MolecularWeight: 384.92052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.[Cl-]

InChI

InChI=1S/C26H23N.ClH/c1-2-6-19(7-3-1)8-5-17-27-18-23-14-13-22-12-11-20-9-4-10-21-15-16-24(23)26(22)25(20)21;/h1-4,6-7,9-16,27H,5,8,17-18H2;1H/p-1