N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-methyl-pyrazole-3-carboxamide Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CN1C(=CC=N1)C(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C17H28N4O/c1-20-16(9-10-18-20)17(22)19-15-8-5-11-21(13-15)12-14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-13H2,1H3,(H,19,22)/p+1/t15-/m0/s1