N-[[(3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[(3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[(3R)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-[[(3R)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-[[(3R)-1-[(1-ethyl-3-methyl-pyrazol-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:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)CNC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H32N4O3/c1-5-26-15-19(16(2)24-26)14-25-8-6-7-17(13-25)12-23-22(27)18-9-20(28-3)11-21(10-18)29-4/h9-11,15,17H,5-8,12-14H2,1-4H3,(H,23,27)/p+1/t17-/m1/s1