5-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentylideneazanium

Systemtic Name: 5-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentylideneazanium Openeye Name: 5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentylideneammonium CAS Name: 5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]pentylideneammonium IUPAC Name: 5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentylideneazanium Traditional Name: 5-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentylideneammonium Formula: C13H23N3O5P+ MolecularWeight: 332.312581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCCCCC=[NH2+])COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNCCCCC=[NH2+])COP(=O)(O)O

InChI

InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h5,7,14-15,17H,2-4,6,8-9H2,1H3,(H2,18,19,20)/p+1