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

Systemtic Name: 4-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-pyridin-3-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3-fluoro-4-methoxy-phenyl)methyl]-N-(3-pyridyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-(3-pyridinyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-pyridin-3-ylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(3-fluoro-4-methoxy-benzyl)-N-(3-pyridyl)piperazin-4-ium-1-carboxamide Formula: C18H22FN4O2+ MolecularWeight: 345.391283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CN=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CN=CC=C3)F

InChI

InChI=1S/C18H21FN4O2/c1-25-17-5-4-14(11-16(17)19)13-22-7-9-23(10-8-22)18(24)21-15-3-2-6-20-12-15/h2-6,11-12H,7-10,13H2,1H3,(H,21,24)/p+1