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

Systemtic Name: N-[[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide Openeye Name: N-[[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide CAS Name: N-[[(3R)-1-[(1,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-2,3-dimethoxybenzamide IUPAC Name: N-[[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxybenzamide Traditional Name: N-[[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCCC(C2)CNC(=O)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H30N4O3/c1-15-17(12-23-24(15)2)14-25-10-6-7-16(13-25)11-22-21(26)18-8-5-9-19(27-3)20(18)28-4/h5,8-9,12,16H,6-7,10-11,13-14H2,1-4H3,(H,22,26)/p+1/t16-/m1/s1