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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C18H31N4O+ MolecularWeight: 319.46494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3)C

InChI

InChI=1S/C18H30N4O/c1-14-12-17(21(2)20-14)18(23)19-15-8-7-11-22(13-15)16-9-5-3-4-6-10-16/h12,15-16H,3-11,13H2,1-2H3,(H,19,23)/p+1/t15-/m0/s1