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

Systemtic Name: oxidanylidene-[[2-(pyren-1-ylmethyl)isoquinolin-3-ylidene]methyl]azanium Openeye Name: oxo-[[2-(pyren-1-ylmethyl)-3-isoquinolylidene]methyl]ammonium CAS Name: oxo-[[2-(1-pyrenylmethyl)-3-isoquinolinylidene]methyl]ammonium IUPAC Name: oxo-[[2-(pyren-1-ylmethyl)isoquinolin-3-ylidene]methyl]azanium Traditional Name: keto-[[2-(pyren-1-ylmethyl)-3-isoquinolylidene]methyl]ammonium Formula: C27H19N2O+ MolecularWeight: 387.45256

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C27H18N2O/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/p+1