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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-5-propyl-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-5-propyl-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-2-methyl-5-propyl-3-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-5-propylpyrazole-3-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-5-propyl-pyrazole-3-carboxamide Formula: C20H35N4O+ MolecularWeight: 347.5181

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3)C

InChI

InChI=1S/C20H34N4O/c1-3-9-16-14-19(23(2)22-16)20(25)21-17-10-8-13-24(15-17)18-11-6-4-5-7-12-18/h14,17-18H,3-13,15H2,1-2H3,(H,21,25)/p+1/t17-/m0/s1