[[(4-methylpyridin-1-ium-2-yl)-(phenylmethyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(4-methylpyridin-1-ium-2-yl)-(phenylmethyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[benzyl-(4-methylpyridin-1-ium-2-yl)amino]-phosphono-methyl]phosphonic acid CAS Name: [[(4-methyl-2-pyridin-1-iumyl)-(phenylmethyl)amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[benzyl-(4-methylpyridin-1-ium-2-yl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[benzyl-(4-methylpyridin-1-ium-2-yl)amino]-phosphono-methyl]phosphonic acid Formula: C14H19N2O6P2+ MolecularWeight: 373.257982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)N(CC2=CC=CC=C2)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N(CC2=CC=CC=C2)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H18N2O6P2/c1-11-7-8-15-13(9-11)16(10-12-5-3-2-4-6-12)14(23(17,18)19)24(20,21)22/h2-9,14H,10H2,1H3,(H2,17,18,19)(H2,20,21,22)/p+1