ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate

Systemtic Name: ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate Openeye Name: ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate CAS Name: N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridin-1-iumyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-1-ium-3-yl]carbamate Traditional Name: N-[2-amino-6-[(4-fluorobenzyl)amino]pyridin-1-ium-3-yl]carbamic acid ethyl ester Formula: C15H18FN4O2+ MolecularWeight: 305.327423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C([NH+]=C(C=C1)NCC2=CC=C(C=C2)F)N

Isomeric SMILES

CCOC(=O)NC1=C([NH+]=C(C=C1)NCC2=CC=C(C=C2)F)N

InChI

InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)/p+1