5-(2-adamantylidene)pentyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl phosphate

Systemtic Name: 5-(2-adamantylidene)pentyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl phosphate Openeye Name: 5-(2-adamantylidene)pentyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl phosphate CAS Name: 5-(2-adamantylidene)pentyl 2-(1-methyl-1-piperidin-1-iumyl)ethyl phosphate IUPAC Name: 5-(2-adamantylidene)pentyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl phosphate Traditional Name: 5-(2-adamantylidene)pentyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl phosphate Formula: C23H40NO4P MolecularWeight: 425.541761

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOP(=O)([O-])OCCCCC=C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[N+]1(CCCCC1)CCOP(=O)([O-])OCCCCC=C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C23H40NO4P/c1-24(9-5-3-6-10-24)11-13-28-29(25,26)27-12-7-2-4-8-23-21-15-19-14-20(17-21)18-22(23)16-19/h8,19-22H,2-7,9-18H2,1H3