3,5-dimethoxy-N-[[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: N-[[(3R)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: 3,5-dimethoxy-N-[[(3R)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: N-[[(3R)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCC(C2)CNC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H32N4O3/c1-16(2)26-15-18(12-24-26)14-25-7-5-6-17(13-25)11-23-22(27)19-8-20(28-3)10-21(9-19)29-4/h8-10,12,15-17H,5-7,11,13-14H2,1-4H3,(H,23,27)/p+1/t17-/m1/s1