5-[[(Z)-[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]pentylideneazanium

Systemtic Name: 5-[[(Z)-[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]pentylideneazanium Openeye Name: 5-[[(Z)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]pentylideneammonium CAS Name: 5-[[(Z)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methyl]amino]pentylideneammonium IUPAC Name: 5-[[(Z)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]pentylideneazanium Traditional Name: 5-[[(Z)-[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]pentylideneammonium Formula: C13H21N3O5P+ MolecularWeight: 330.296701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCCCC=[NH2+])C1=O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(/C(=C/NCCCCC=[NH2+])/C1=O)COP(=O)(O)O

InChI

InChI=1S/C13H20N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h5,7-8,14-15H,2-4,6,9H2,1H3,(H2,18,19,20)/p+1/b12-8-,14-5?