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

Systemtic Name: N-[[(3R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide Openeye Name: N-[[(3R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide CAS Name: N-[[(3R)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-2,3-dimethoxybenzamide IUPAC Name: N-[[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxybenzamide Traditional Name: N-[[(3R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O3/c1-6-27-17(3)20(16(2)25-27)15-26-12-8-9-18(14-26)13-24-23(28)19-10-7-11-21(29-4)22(19)30-5/h7,10-11,18H,6,8-9,12-15H2,1-5H3,(H,24,28)/p+1/t18-/m1/s1