ethyl 6-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]nicotinic acid ethyl ester Formula: C20H25FN3O3+ MolecularWeight: 374.429203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C20H24FN3O3/c1-3-27-20(25)15-4-7-19(22-13-15)24-10-8-23(9-11-24)14-16-12-17(21)5-6-18(16)26-2/h4-7,12-13H,3,8-11,14H2,1-2H3/p+1