azane; 2-azanidyl-4-[methyl(oxidanyl)phosphoryl]butanoate; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium

Systemtic Name: azane; 2-azanidyl-4-[methyl(oxidanyl)phosphoryl]butanoate; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Openeye Name: ammonia; 2-azanidyl-4-[hydroxy(methyl)phosphoryl]butanoate; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium CAS Name: ammonia; 2-azanidyl-4-[hydroxy(methyl)phosphoryl]butanoate; 1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium IUPAC Name: azane; 2-azanidyl-4-[hydroxy(methyl)phosphoryl]butanoate; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Traditional Name: 2-amidyl-4-[hydroxy(methyl)phosphoryl]butyrate; ammonia; 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium Formula: C17H27N4O4P MolecularWeight: 382.394441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.CP(=O)(CCC(C(=O)[O-])[NH-])O.N

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.CP(=O)(CCC(C(=O)[O-])[NH-])O.N

InChI

InChI=1S/C12H14N2.C5H11NO4P.H3N/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;1-11(9,10)3-2-4(6)5(7)8;/h3-10H,1-2H3;4,6H,2-3H2,1H3,(H,7,8)(H,9,10);1H3/q+2;-1;/p-1