N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-benzyl-pyrazole-4-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-1-benzylpyrazole-4-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-1-benzyl-pyrazole-4-carboxamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CN(N=C2)CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CN(N=C2)CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c30-23(26-21-9-5-2-6-10-21)18-28-13-11-22(12-14-28)27-24(31)20-15-25-29(17-20)16-19-7-3-1-4-8-19/h1-10,15,17,22H,11-14,16,18H2,(H,26,30)(H,27,31)/p+1