oxidanylidene-(12-pyridin-3-yldodecylamino)-(13-pyridin-3-yltridecyl)azanium

Systemtic Name: oxidanylidene-(12-pyridin-3-yldodecylamino)-(13-pyridin-3-yltridecyl)azanium Openeye Name: oxo-[12-(3-pyridyl)dodecylamino]-[13-(3-pyridyl)tridecyl]ammonium CAS Name: oxo-[12-(3-pyridinyl)dodecylamino]-[13-(3-pyridinyl)tridecyl]ammonium IUPAC Name: oxo-(12-pyridin-3-yldodecylamino)-(13-pyridin-3-yltridecyl)azanium Traditional Name: keto-[12-(3-pyridyl)dodecylamino]-[13-(3-pyridyl)tridecyl]ammonium Formula: C35H59N4O+ MolecularWeight: 551.86916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCCCCCCCCCC[N+](=O)NCCCCCCCCCCCCC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)CCCCCCCCCCCCC[N+](=O)NCCCCCCCCCCCCC2=CN=CC=C2

InChI

InChI=1S/C35H59N4O/c40-39(31-21-17-13-9-5-1-2-6-10-14-18-24-34-26-22-28-36-32-34)38-30-20-16-12-8-4-3-7-11-15-19-25-35-27-23-29-37-33-35/h22-23,26-29,32-33H,1-21,24-25,30-31H2,(H,38,40)/q+1