[2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)phenyl] dihydrogen phosphate

Systemtic Name: [2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)phenyl] dihydrogen phosphate Openeye Name: [2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)phenyl] dihydrogen phosphate CAS Name: [2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)phenyl] dihydrogen phosphate IUPAC Name: [2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)phenyl] dihydrogen phosphate Traditional Name: [2,6-dimethyl-4-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)phenyl] dihydrogen phosphate Formula: C17H19NO5P+ MolecularWeight: 348.310221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC[N+](=C2)C3=CC(=C(C(=C3)C)OP(=O)(O)O)C

Isomeric SMILES

CC1=CC=CC2=C1OC[N+](=C2)C3=CC(=C(C(=C3)C)OP(=O)(O)O)C

InChI

InChI=1S/C17H18NO5P/c1-11-5-4-6-14-9-18(10-22-17(11)14)15-7-12(2)16(13(3)8-15)23-24(19,20)21/h4-9H,10H2,1-3H3,(H-,19,20,21)/p+1