4-[2-[bis[2-(1-ethylpyridin-1-ium-4-yl)ethyl]phosphoryl]ethyl]-1-ethyl-pyridin-1-ium

Systemtic Name: 4-[2-[bis[2-(1-ethylpyridin-1-ium-4-yl)ethyl]phosphoryl]ethyl]-1-ethyl-pyridin-1-ium Openeye Name: 4-[2-[bis[2-(1-ethylpyridin-1-ium-4-yl)ethyl]phosphoryl]ethyl]-1-ethyl-pyridin-1-ium CAS Name: 4-[2-[bis[2-(1-ethyl-4-pyridin-1-iumyl)ethyl]phosphoryl]ethyl]-1-ethylpyridin-1-ium IUPAC Name: 4-[2-[bis[2-(1-ethylpyridin-1-ium-4-yl)ethyl]phosphoryl]ethyl]-1-ethylpyridin-1-ium Traditional Name: 4-[2-[bis[2-(1-ethylpyridin-1-ium-4-yl)ethyl]phosphoryl]ethyl]-1-ethyl-pyridin-1-ium Formula: C27H39N3OP+3 MolecularWeight: 452.591821

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)CCP(=O)(CCC2=CC=[N+](C=C2)CC)CCC3=CC=[N+](C=C3)CC

Isomeric SMILES

CC[N+]1=CC=C(C=C1)CCP(=O)(CCC2=CC=[N+](C=C2)CC)CCC3=CC=[N+](C=C3)CC

InChI

InChI=1S/C27H39N3OP/c1-4-28-16-7-25(8-17-28)13-22-32(31,23-14-26-9-18-29(5-2)19-10-26)24-15-27-11-20-30(6-3)21-12-27/h7-12,16-21H,4-6,13-15,22-24H2,1-3H3/q+3