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

Systemtic Name: 2-azanyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-6-(2-methylpropyl)pyrimidine-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-6-isobutyl-N-methyl-pyrimidine-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-6-(2-methylpropyl)-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-6-(2-methylpropyl)pyrimidine-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-6-isobutyl-N-methyl-pyrimidine-4-carboxamide Formula: C22H31FN5O+ MolecularWeight: 400.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NC(=C1)C(=O)N(C)C2CCC[NH+](C2)CC3=CC=CC=C3F)N

Isomeric SMILES

CC(C)CC1=NC(=NC(=C1)C(=O)N(C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F)N

InChI

InChI=1S/C22H30FN5O/c1-15(2)11-17-12-20(26-22(24)25-17)21(29)27(3)18-8-6-10-28(14-18)13-16-7-4-5-9-19(16)23/h4-5,7,9,12,15,18H,6,8,10-11,13-14H2,1-3H3,(H2,24,25,26)/p+1/t18-/m0/s1