N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2-dimethyl-5-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2-dimethyl-5-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-5-isopropyl-N,2-dimethyl-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N,2-dimethyl-5-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2-dimethyl-5-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-5-isopropyl-N,2-dimethyl-pyrazole-3-carboxamide Formula: C21H30FN4O+ MolecularWeight: 373.487503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)C(=O)N(C)C2CCC[NH+](C2)CC3=CC=CC=C3F)C

Isomeric SMILES

CC(C)C1=NN(C(=C1)C(=O)N(C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F)C

InChI

InChI=1S/C21H29FN4O/c1-15(2)19-12-20(25(4)23-19)21(27)24(3)17-9-7-11-26(14-17)13-16-8-5-6-10-18(16)22/h5-6,8,10,12,15,17H,7,9,11,13-14H2,1-4H3/p+1/t17-/m0/s1