[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-diethyl-[(2-phosphonooxyphenyl)methyl]azanium

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-diethyl-[(2-phosphonooxyphenyl)methyl]azanium Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-diethyl-[(2-phosphonooxyphenyl)methyl]ammonium CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-[(2-phosphonooxyphenyl)methyl]ammonium IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-[(2-phosphonooxyphenyl)methyl]azanium Traditional Name: [2-(2,6-dimethylanilino)-2-keto-ethyl]-diethyl-(2-phosphonooxybenzyl)ammonium Formula: C21H30N2O5P+ MolecularWeight: 421.447061

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC1=CC=CC=C1OP(=O)(O)O)CC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CC[N+](CC)(CC1=CC=CC=C1OP(=O)(O)O)CC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C21H29N2O5P/c1-5-23(6-2,14-18-12-7-8-13-19(18)28-29(25,26)27)15-20(24)22-21-16(3)10-9-11-17(21)4/h7-13H,5-6,14-15H2,1-4H3,(H2-,22,24,25,26,27)/p+1