1-(3,4-dichlorophenyl)-N-(pyren-1-ylmethyl)methanamine chloride

Systemtic Name: 1-(3,4-dichlorophenyl)-N-(pyren-1-ylmethyl)methanamine chloride Openeye Name: 1-(3,4-dichlorophenyl)-N-(pyren-1-ylmethyl)methanamine chloride CAS Name: 1-(3,4-dichlorophenyl)-N-(1-pyrenylmethyl)methanamine chloride IUPAC Name: 1-(3,4-dichlorophenyl)-N-(pyren-1-ylmethyl)methanamine chloride Traditional Name: (3,4-dichlorobenzyl)-(pyren-1-ylmethyl)amine chloride Formula: C24H17Cl3N- MolecularWeight: 425.75748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCC5=CC(=C(C=C5)Cl)Cl.[Cl-]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCC5=CC(=C(C=C5)Cl)Cl.[Cl-]

InChI

InChI=1S/C24H17Cl2N.ClH/c25-21-11-4-15(12-22(21)26)13-27-14-19-8-7-18-6-5-16-2-1-3-17-9-10-20(19)24(18)23(16)17;/h1-12,27H,13-14H2;1H/p-1