2-[1-[(1-methylpiperidin-3-yl)methyl]-5-phenyl-pyrazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-[(1-methylpiperidin-3-yl)methyl]-5-phenyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[(1-methyl-3-piperidyl)methyl]-5-phenyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-[(1-methyl-3-piperidinyl)methyl]-5-phenyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-[(1-methylpiperidin-3-yl)methyl]-5-phenylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-[(1-methyl-3-piperidyl)methyl]-5-phenyl-pyrazol-1-ium-1-yl]acetamide Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C[N+]2(C(=CC=N2)C3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CN1CCCC(C1)C[N+]2(C(=CC=N2)C3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C18H24N4O/c1-21-11-5-6-15(12-21)13-22(14-18(19)23)17(9-10-20-22)16-7-3-2-4-8-16/h2-4,7-10,15H,5-6,11-14H2,1H3,(H-,19,23)/p+1