N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)propanamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)propanamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)propanamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-3-(1-methyl-4-pyrazolyl)propanamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)propanamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)propionamide Formula: C20H28FN4O+ MolecularWeight: 359.460923

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCC(=O)N(C)C2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CN1C=C(C=N1)CCC(=O)N(C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H27FN4O/c1-23-13-16(12-22-23)9-10-20(26)24(2)18-7-5-11-25(15-18)14-17-6-3-4-8-19(17)21/h3-4,6,8,12-13,18H,5,7,9-11,14-15H2,1-2H3/p+1/t18-/m0/s1