4-phenyl-N-(pyren-1-ylmethyl)butan-1-amine hydrochloride

Systemtic Name: 4-phenyl-N-(pyren-1-ylmethyl)butan-1-amine hydrochloride Openeye Name: 4-phenyl-N-(pyren-1-ylmethyl)butan-1-amine hydrochloride CAS Name: 4-phenyl-N-(1-pyrenylmethyl)-1-butanamine hydrochloride IUPAC Name: 4-phenyl-N-(pyren-1-ylmethyl)butan-1-amine hydrochloride Traditional Name: 4-phenylbutyl(pyren-1-ylmethyl)amine hydrochloride Formula: C27H26ClN MolecularWeight: 399.95504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.Cl

InChI

InChI=1S/C27H25N.ClH/c1-2-7-20(8-3-1)9-4-5-18-28-19-24-15-14-23-13-12-21-10-6-11-22-16-17-25(24)27(23)26(21)22;/h1-3,6-8,10-17,28H,4-5,9,18-19H2;1H