2,5-dimethyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)C

InChI

InChI=1S/C17H23N5O/c1-13-10-16(21(2)20-13)17(23)19-15-7-5-9-22(12-15)11-14-6-3-4-8-18-14/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3,(H,19,23)/p+1/t15-/m0/s1