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

Systemtic Name: (3S)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Traditional Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]amine Formula: C19H28FN4+ MolecularWeight: 331.450823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CCN1C=C(C(=N1)C)CN[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H27FN4/c1-3-24-13-17(15(2)22-24)11-21-18-8-6-10-23(14-18)12-16-7-4-5-9-19(16)20/h4-5,7,9,13,18,21H,3,6,8,10-12,14H2,1-2H3/p+1/t18-/m0/s1