oxidanylidene-[(Z)-[2-(pyren-1-ylmethyl)isoquinolin-3-ylidene]methyl]azanium bromide

Systemtic Name: oxidanylidene-[(Z)-[2-(pyren-1-ylmethyl)isoquinolin-3-ylidene]methyl]azanium bromide Openeye Name: oxo-[(Z)-[2-(pyren-1-ylmethyl)-3-isoquinolylidene]methyl]ammonium bromide CAS Name: oxo-[(Z)-[2-(1-pyrenylmethyl)-3-isoquinolinylidene]methyl]ammonium bromide IUPAC Name: oxo-[(Z)-[2-(pyren-1-ylmethyl)isoquinolin-3-ylidene]methyl]azanium bromide Traditional Name: keto-[(Z)-[2-(pyren-1-ylmethyl)-3-isoquinolylidene]methyl]ammonium bromide Formula: C27H19BrN2O MolecularWeight: 467.35656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C[NH+]=O)N(C=C2C=C1)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3.[Br-]

Isomeric SMILES

C1=CC2=C/C(=C/[NH+]=O)/N(C=C2C=C1)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3.[Br-]

InChI

InChI=1S/C27H18N2O.BrH/c30-28-15-24-14-21-4-1-2-5-22(21)16-29(24)17-23-11-10-20-9-8-18-6-3-7-19-12-13-25(23)27(20)26(18)19;/h1-16H,17H2;1H/b24-15-;