3-[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Systemtic Name: 3-[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Openeye Name: 3-[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: 3-[1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]propanamide IUPAC Name: 3-[1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Traditional Name: 3-[1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC(CC3)CCC(=O)NCC4CCCO4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC(CC3)CCC(=O)NC[C@H]4CCCO4

InChI

InChI=1S/C24H34N4O2/c1-27-17-21(24(26-27)20-6-3-2-4-7-20)18-28-13-11-19(12-14-28)9-10-23(29)25-16-22-8-5-15-30-22/h2-4,6-7,17,19,22H,5,8-16,18H2,1H3,(H,25,29)/p+1/t22-/m1/s1