1,5-dimethyl-2-phenyl-4-(piperidin-1-ium-1-ylmethyl)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(piperidin-1-ium-1-ylmethyl)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(piperidin-1-ium-1-ylmethyl)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(1-piperidin-1-iumylmethyl)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(piperidin-1-ium-1-ylmethyl)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(piperidin-1-ium-1-ylmethyl)-3-pyrazolin-3-one Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C17H23N3O/c1-14-16(13-19-11-7-4-8-12-19)17(21)20(18(14)2)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3/p+1