N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide Formula: C22H30FN4O+ MolecularWeight: 385.498203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=C(NN=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=C(NN=C3)C4=CC=CC=C4F

InChI

InChI=1S/C22H29FN4O/c23-20-12-6-5-11-18(20)21-19(14-24-26-21)22(28)25-16-8-7-13-27(15-16)17-9-3-1-2-4-10-17/h5-6,11-12,14,16-17H,1-4,7-10,13,15H2,(H,24,26)(H,25,28)/p+1/t16-/m0/s1