oxidanylidene-[(Z)-14-pyridin-3-yltetradec-11-enyl]-(13-pyridin-3-yltridecylamino)azanium

Systemtic Name: oxidanylidene-[(Z)-14-pyridin-3-yltetradec-11-enyl]-(13-pyridin-3-yltridecylamino)azanium Openeye Name: oxo-[(Z)-14-(3-pyridyl)tetradec-11-enyl]-[13-(3-pyridyl)tridecylamino]ammonium CAS Name: oxo-[(Z)-14-(3-pyridinyl)tetradec-11-enyl]-[13-(3-pyridinyl)tridecylamino]ammonium IUPAC Name: oxo-[(Z)-14-pyridin-3-yltetradec-11-enyl]-(13-pyridin-3-yltridecylamino)azanium Traditional Name: keto-[(Z)-14-(3-pyridyl)tetradec-11-enyl]-[13-(3-pyridyl)tridecylamino]ammonium Formula: C37H61N4O+ MolecularWeight: 577.90644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCCCCCCCCCCN[N+](=O)CCCCCCCCCCC=CCCC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)CCCCCCCCCCCCCN[N+](=O)CCCCCCCCCC/C=C\CCC2=CN=CC=C2

InChI

InChI=1S/C37H61N4O/c42-41(33-23-19-15-11-7-2-1-4-8-12-16-20-26-36-28-24-30-38-34-36)40-32-22-18-14-10-6-3-5-9-13-17-21-27-37-29-25-31-39-35-37/h12,16,24-25,28-31,34-35H,1-11,13-15,17-23,26-27,32-33H2,(H,40,42)/q+1/b16-12-