oxidanylidene-[(E)-[1-(pyren-1-ylmethyl)pyridin-2-ylidene]methyl]azanium bromide

Systemtic Name: oxidanylidene-[(E)-[1-(pyren-1-ylmethyl)pyridin-2-ylidene]methyl]azanium bromide Openeye Name: oxo-[(E)-[1-(pyren-1-ylmethyl)-2-pyridylidene]methyl]ammonium bromide CAS Name: oxo-[(E)-[1-(1-pyrenylmethyl)-2-pyridinylidene]methyl]ammonium bromide IUPAC Name: oxo-[(E)-[1-(pyren-1-ylmethyl)pyridin-2-ylidene]methyl]azanium bromide Traditional Name: keto-[(E)-[1-(pyren-1-ylmethyl)-2-pyridylidene]methyl]ammonium bromide Formula: C23H17BrN2O MolecularWeight: 417.29788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=O)N(C=C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.[Br-]

Isomeric SMILES

C1=C/C(=C\[NH+]=O)/N(C=C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.[Br-]

InChI

InChI=1S/C23H16N2O.BrH/c26-24-14-20-6-1-2-13-25(20)15-19-10-9-18-8-7-16-4-3-5-17-11-12-21(19)23(18)22(16)17;/h1-14H,15H2;1H/b20-14+;