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

Systemtic Name: 5-chloranyl-3-[(3,5-dimethylphenyl)-methoxy-phosphoryl]-N-[(4-oxidanidylpyrazin-4-ium-2-yl)methyl]-1H-indole-2-carboxamide Openeye Name: 5-chloro-3-[(3,5-dimethylphenyl)-methoxy-phosphoryl]-N-[(4-oxidopyrazin-4-ium-2-yl)methyl]-1H-indole-2-carboxamide CAS Name: 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-N-[(4-oxido-2-pyrazin-4-iumyl)methyl]-1H-indole-2-carboxamide IUPAC Name: 5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-N-[(4-oxidopyrazin-4-ium-2-yl)methyl]-1H-indole-2-carboxamide Traditional Name: 5-chloro-3-[(3,5-dimethylphenyl)-methoxy-phosphoryl]-N-[(4-oxidopyrazin-4-ium-2-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=NC=C[N+](=C4)[O-])OC)C

Isomeric SMILES

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

InChI

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