oxidanylidene-(13-pyridin-3-yltridecyl)-(13-pyridin-3-yltridecylamino)azanium

Systemtic Name: oxidanylidene-(13-pyridin-3-yltridecyl)-(13-pyridin-3-yltridecylamino)azanium Openeye Name: oxo-[13-(3-pyridyl)tridecyl]-[13-(3-pyridyl)tridecylamino]ammonium CAS Name: oxo-[13-(3-pyridinyl)tridecyl]-[13-(3-pyridinyl)tridecylamino]ammonium IUPAC Name: oxo-(13-pyridin-3-yltridecyl)-(13-pyridin-3-yltridecylamino)azanium Traditional Name: keto-[13-(3-pyridyl)tridecyl]-[13-(3-pyridyl)tridecylamino]ammonium Formula: C36H61N4O+ MolecularWeight: 565.89574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCCCCCCCCCCN[N+](=O)CCCCCCCCCCCCCC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)CCCCCCCCCCCCCN[N+](=O)CCCCCCCCCCCCCC2=CN=CC=C2

InChI

InChI=1S/C36H61N4O/c41-40(32-22-18-14-10-6-2-4-8-12-16-20-26-36-28-24-30-38-34-36)39-31-21-17-13-9-5-1-3-7-11-15-19-25-35-27-23-29-37-33-35/h23-24,27-30,33-34H,1-22,25-26,31-32H2,(H,39,41)/q+1