N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5-methyl-1-propyl-pyrazole-4-carboxamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5-methyl-1-propyl-pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5-methyl-1-propyl-pyrazole-4-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-5-methyl-1-propyl-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5-methyl-1-propyl-pyrazole-4-carboxamide Formula: C20H35N4O+ MolecularWeight: 347.5181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3)C

Isomeric SMILES

CCCN1C(=C(C=N1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3)C

InChI

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