N-(4-butylphenyl)-5-(2-methoxyethyl)-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide

Systemtic Name: N-(4-butylphenyl)-5-(2-methoxyethyl)-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(4-butylphenyl)-5-(2-methoxyethyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(4-butylphenyl)-5-(2-methoxyethyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(4-butylphenyl)-5-(2-methoxyethyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(4-butylphenyl)-3-keto-5-(2-methoxyethyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C3C(=C[N+](=C2)CCOC)C(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C3C(=C[N+](=C2)CCOC)C(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-3-4-8-19-11-13-20(14-12-19)27-25(31)22-17-29(15-16-33-2)18-23-24(22)28-30(26(23)32)21-9-6-5-7-10-21/h5-7,9-14,17-18H,3-4,8,15-16H2,1-2H3,(H,27,31)/p+1