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

Systemtic Name: 2-azanyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]pyridin-1-ium-4-carboxamide Formula: C18H23FN4O+2 MolecularWeight: 330.399823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)NC(=O)C3=CC(=[NH+]C=C3)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2F)NC(=O)C3=CC(=[NH+]C=C3)N

InChI

InChI=1S/C18H21FN4O/c19-16-6-2-1-4-14(16)11-23-9-3-5-15(12-23)22-18(24)13-7-8-21-17(20)10-13/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H2,20,21)(H,22,24)/p+2/t15-/m0/s1