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

Systemtic Name: 5-ethyl-2-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide Openeye Name: 5-ethyl-2-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide CAS Name: 5-ethyl-2-methyl-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-3-pyrazolecarboxamide IUPAC Name: 5-ethyl-2-methyl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide Traditional Name: 5-ethyl-2-methyl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)C

InChI

InChI=1S/C18H25N5O/c1-3-14-11-17(22(2)21-14)18(24)20-16-8-6-10-23(13-16)12-15-7-4-5-9-19-15/h4-5,7,9,11,16H,3,6,8,10,12-13H2,1-2H3,(H,20,24)/p+1/t16-/m0/s1