N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C18H22FN4O+ MolecularWeight: 329.391883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)F

InChI

InChI=1S/C18H21FN4O/c1-14-5-6-15(12-16(14)19)13-21-18(24)23-10-8-22(9-11-23)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)/p+1