(3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]amine Formula: C20H30FN4+ MolecularWeight: 345.477403

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CNC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

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

InChI

InChI=1S/C20H29FN4/c1-3-10-25-14-18(16(2)23-25)12-22-19-8-6-11-24(15-19)13-17-7-4-5-9-20(17)21/h4-5,7,9,14,19,22H,3,6,8,10-13,15H2,1-2H3/p+1/t19-/m0/s1