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

Systemtic Name: N-[2-[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide Openeye Name: N-[2-[1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butanamide CAS Name: N-[2-[1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-methylbutanamide IUPAC Name: N-[2-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methylbutanamide Traditional Name: N-[2-[1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-methyl-butyramide Formula: C25H35N6O2+ MolecularWeight: 451.5844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)CC(C)C

InChI

InChI=1S/C25H34N6O2/c1-18(2)16-24(32)27-23-10-13-26-30(23)20-11-14-29(15-12-20)17-22-19(3)28(4)31(25(22)33)21-8-6-5-7-9-21/h5-10,13,18,20H,11-12,14-17H2,1-4H3,(H,27,32)/p+1