4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide CAS Name: 4-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NC3CCC[NH+](C3)CC4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=N4)C

InChI

InChI=1S/C24H29N5O/c1-18-14-19(2)29(27-18)15-20-8-10-21(11-9-20)24(30)26-23-7-5-13-28(17-23)16-22-6-3-4-12-25-22/h3-4,6,8-12,14,23H,5,7,13,15-17H2,1-2H3,(H,26,30)/p+1/t23-/m0/s1