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

Systemtic Name: 3,5-dimethoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 3,5-dimethoxy-N-[[(3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)CNC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C20H28N4O3/c1-23-12-16(11-22-23)14-24-6-4-5-15(13-24)10-21-20(25)17-7-18(26-2)9-19(8-17)27-3/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H,21,25)/p+1/t15-/m0/s1