1-[2-[3-oxidanylidene-4-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-1,5-dien-1-yl]oxyethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[3-oxidanylidene-4-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-1,5-dien-1-yl]oxyethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[3-oxo-4-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-1,5-dien-1-yl]oxyethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[3-oxo-4-(4-phenyl-1,2-dihydropyrazol-3-ylidene)-1-cyclohexa-1,5-dienyl]oxy]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[3-oxo-4-(4-phenyl-1,2-dihydropyrazol-3-ylidene)cyclohexa-1,5-dien-1-yl]oxyethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[3-keto-4-(4-phenyl-3-pyrazolin-3-ylidene)cyclohexa-1,5-dien-1-yl]oxyethyl]piperidin-1-ium-4-carboxamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CCOC2=CC(=O)C(=C3C(=CNN3)C4=CC=CC=C4)C=C2

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CCOC2=CC(=O)C(=C3C(=CNN3)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C23H26N4O3/c24-23(29)17-8-10-27(11-9-17)12-13-30-18-6-7-19(21(28)14-18)22-20(15-25-26-22)16-4-2-1-3-5-16/h1-7,14-15,17,25-26H,8-13H2,(H2,24,29)/p+1