3-[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one CAS Name: 3-[1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC(CC3)CCC(=O)N4CCOCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC(CC3)CCC(=O)N4CCOCC4

InChI

InChI=1S/C23H32N4O2/c1-25-17-21(23(24-25)20-5-3-2-4-6-20)18-26-11-9-19(10-12-26)7-8-22(28)27-13-15-29-16-14-27/h2-6,17,19H,7-16,18H2,1H3/p+1