[4-[(4-azaniumylidene-3-methyl-cyclohexa-2,5-dien-1-ylidene)-(4-azaniumyl-3-methyl-phenyl)methyl]-2-methyl-phenyl]azanium phosphate

Systemtic Name: [4-[(4-azaniumylidene-3-methyl-cyclohexa-2,5-dien-1-ylidene)-(4-azaniumyl-3-methyl-phenyl)methyl]-2-methyl-phenyl]azanium phosphate Openeye Name: [4-[(4-azaniumylidene-3-methyl-cyclohexa-2,5-dien-1-ylidene)-(4-azaniumyl-3-methyl-phenyl)methyl]-2-methyl-phenyl]ammonium phosphate CAS Name: [4-[(4-ammonio-3-methylphenyl)-(4-iminio-3-methyl-1-cyclohexa-2,5-dienylidene)methyl]-2-methylphenyl]ammonium phosphate IUPAC Name: [4-[(4-azaniumylidene-3-methylcyclohexa-2,5-dien-1-ylidene)-(4-azaniumyl-3-methylphenyl)methyl]-2-methylphenyl]azanium phosphate Traditional Name: [4-[(4-ammonio-3-methyl-phenyl)-(4-iminio-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]-2-methyl-phenyl]ammonium phosphate Formula: C22H26N3O4P MolecularWeight: 427.433301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC(=C(C=C2)[NH3+])C)C3=CC(=C(C=C3)[NH3+])C)C=CC1=[NH2+].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC(=C(C2=CC(=C(C=C2)[NH3+])C)C3=CC(=C(C=C3)[NH3+])C)C=CC1=[NH2+].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C22H23N3.H3O4P/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-5(2,3)4/h4-12,23H,24-25H2,1-3H3;(H3,1,2,3,4)