(5-chloranyl-2-methoxy-phenyl)methyl-bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-bis[2-(2,6-dimethylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium Traditional Name: (5-chloro-2-methoxy-benzyl)-bis[2-(2,6-dimethylanilino)-2-keto-ethyl]ammonium Formula: C28H33ClN3O3+ MolecularWeight: 495.03292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CC2=C(C=CC(=C2)Cl)OC)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CC2=C(C=CC(=C2)Cl)OC)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C28H32ClN3O3/c1-18-8-6-9-19(2)27(18)30-25(33)16-32(15-22-14-23(29)12-13-24(22)35-5)17-26(34)31-28-20(3)10-7-11-21(28)4/h6-14H,15-17H2,1-5H3,(H,30,33)(H,31,34)/p+1