oxidanylidene-(12-pyridin-3-yldodecylamino)-[(Z)-14-pyridin-3-yltetradec-11-enyl]azanium

Systemtic Name: oxidanylidene-(12-pyridin-3-yldodecylamino)-[(Z)-14-pyridin-3-yltetradec-11-enyl]azanium Openeye Name: oxo-[12-(3-pyridyl)dodecylamino]-[(Z)-14-(3-pyridyl)tetradec-11-enyl]ammonium CAS Name: oxo-[12-(3-pyridinyl)dodecylamino]-[(Z)-14-(3-pyridinyl)tetradec-11-enyl]ammonium IUPAC Name: oxo-(12-pyridin-3-yldodecylamino)-[(Z)-14-pyridin-3-yltetradec-11-enyl]azanium Traditional Name: keto-[12-(3-pyridyl)dodecylamino]-[(Z)-14-(3-pyridyl)tetradec-11-enyl]ammonium Formula: C36H59N4O+ MolecularWeight: 563.87986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H59N4O/c41-40(39-31-21-17-13-9-5-4-8-12-16-20-26-36-28-24-30-38-34-36)32-22-18-14-10-6-2-1-3-7-11-15-19-25-35-27-23-29-37-33-35/h11,15,23-24,27-30,33-34H,1-10,12-14,16-22,25-26,31-32H2,(H,39,41)/q+1/b15-11-