N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,3-dimethyl-1-propyl-pyrazole-4-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,3-dimethyl-1-propyl-pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,3-dimethyl-1-propyl-pyrazole-4-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N,3-dimethyl-1-propyl-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,3-dimethyl-1-propylpyrazole-4-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N,3-dimethyl-1-propyl-pyrazole-4-carboxamide Formula: C21H30FN4O+ MolecularWeight: 373.487503

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C(=O)N(C)C2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CCCN1C=C(C(=N1)C)C(=O)N(C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H29FN4O/c1-4-11-26-15-19(16(2)23-26)21(27)24(3)18-9-7-12-25(14-18)13-17-8-5-6-10-20(17)22/h5-6,8,10,15,18H,4,7,9,11-14H2,1-3H3/p+1/t18-/m0/s1