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

Systemtic Name: N-[[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-[[(3R)-1-[(1,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-[[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3,5-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=CC(=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-15-18(12-23-24(15)2)14-25-7-5-6-16(13-25)11-22-21(26)17-8-19(27-3)10-20(9-17)28-4/h8-10,12,16H,5-7,11,13-14H2,1-4H3,(H,22,26)/p+1/t16-/m1/s1