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

Systemtic Name: 2-azanyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-6-methyl-pyrimidine-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-6-methyl-pyrimidine-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-6-methyl-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-6-methylpyrimidine-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-6-methyl-pyrimidine-4-carboxamide Formula: C18H23FN5O+ MolecularWeight: 344.406523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F)N

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN5O/c1-12-9-16(23-18(20)21-12)17(25)22-14-6-4-8-24(11-14)10-13-5-2-3-7-15(13)19/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,22,25)(H2,20,21,23)/p+1/t14-/m0/s1