2-phenyl-N-(pyren-1-ylmethyl)ethanamine hydrochloride

Systemtic Name: 2-phenyl-N-(pyren-1-ylmethyl)ethanamine hydrochloride Openeye Name: 2-phenyl-N-(pyren-1-ylmethyl)ethanamine hydrochloride CAS Name: 2-phenyl-N-(1-pyrenylmethyl)ethanamine hydrochloride IUPAC Name: 2-phenyl-N-(pyren-1-ylmethyl)ethanamine hydrochloride Traditional Name: phenethyl(pyren-1-ylmethyl)amine hydrochloride Formula: C25H22ClN MolecularWeight: 371.90188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.Cl

InChI

InChI=1S/C25H21N.ClH/c1-2-5-18(6-3-1)15-16-26-17-22-12-11-21-10-9-19-7-4-8-20-13-14-23(22)25(21)24(19)20;/h1-14,26H,15-17H2;1H