N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C25H30ClN4O2+ MolecularWeight: 453.9843

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4O2/c26-21-8-6-19(7-9-21)18-29-15-12-22(13-16-29)27-24(31)10-11-25(32)30-17-14-23(28-30)20-4-2-1-3-5-20/h1-9,22H,10-18H2,(H,27,31)/p+1