5-chloranyl-3-[(3,5-dimethylphenyl)-methoxy-phosphoryl]-N-[(2-oxidanidylpyridazin-2-ium-4-yl)methyl]-1H-indole-2-carboxamide

Systemtic Name: 5-chloranyl-3-[(3,5-dimethylphenyl)-methoxy-phosphoryl]-N-[(2-oxidanidylpyridazin-2-ium-4-yl)methyl]-1H-indole-2-carboxamide Openeye Name: 5-chloro-3-[(3,5-dimethylphenyl)-methoxy-phosphoryl]-N-[(2-oxidopyridazin-2-ium-4-yl)methyl]-1H-indole-2-carboxamide CAS Name: 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-N-[(2-oxido-4-pyridazin-2-iumyl)methyl]-1H-indole-2-carboxamide IUPAC Name: 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-N-[(2-oxidopyridazin-2-ium-4-yl)methyl]-1H-indole-2-carboxamide Traditional Name: 5-chloro-3-[(3,5-dimethylphenyl)-methoxy-phosphoryl]-N-[(2-oxidopyridazin-2-ium-4-yl)methyl]-1H-indole-2-carboxamide Formula: C23H22ClN4O4P MolecularWeight: 484.871941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=C[N+](=NC=C4)[O-])OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=C[N+](=NC=C4)[O-])OC)C

InChI

InChI=1S/C23H22ClN4O4P/c1-14-8-15(2)10-18(9-14)33(31,32-3)22-19-11-17(24)4-5-20(19)27-21(22)23(29)25-12-16-6-7-26-28(30)13-16/h4-11,13,27H,12H2,1-3H3,(H,25,29)