11-(2-adamantylidene)undecyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl hydrogen phosphate

Systemtic Name: 11-(2-adamantylidene)undecyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl hydrogen phosphate Openeye Name: 11-(2-adamantylidene)undecyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl hydrogen phosphate CAS Name: 11-(2-adamantylidene)undecyl 2-(1-methyl-1-piperidin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: 11-(2-adamantylidene)undecyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl hydrogen phosphate Traditional Name: 11-(2-adamantylidene)undecyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl hydrogen phosphate Formula: C29H53NO4P+ MolecularWeight: 510.709181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO4P/c1-30(15-11-9-12-16-30)17-19-34-35(31,32)33-18-13-8-6-4-2-3-5-7-10-14-29-27-21-25-20-26(23-27)24-28(29)22-25/h14,25-28H,2-13,15-24H2,1H3/p+1