N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-6-(2-methylpropyl)pyrimidine-4-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-6-(2-methylpropyl)pyrimidine-4-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-6-isobutyl-2-methyl-pyrimidine-4-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-2-methyl-6-(2-methylpropyl)-4-pyrimidinecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-6-(2-methylpropyl)pyrimidine-4-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-6-isobutyl-2-methyl-pyrimidine-4-carboxamide Formula: C22H30FN4O+ MolecularWeight: 385.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)CC(C)C)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=NC(=CC(=N1)CC(C)C)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C22H29FN4O/c1-15(2)11-19-12-21(25-16(3)24-19)22(28)26-18-8-6-10-27(14-18)13-17-7-4-5-9-20(17)23/h4-5,7,9,12,15,18H,6,8,10-11,13-14H2,1-3H3,(H,26,28)/p+1/t18-/m0/s1