(2-fluoranyl-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: (2-fluoranyl-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (2-fluoro-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)-(4-pyridylmethyl)ammonium CAS Name: (2-fluoro-5-methoxyphenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (2-fluoro-5-methoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)-(pyridin-4-ylmethyl)azanium Traditional Name: (2-fluoro-5-methoxy-benzyl)-(3-morpholin-4-ium-4-ylpropyl)-(4-pyridylmethyl)ammonium Formula: C21H30FN3O2+2 MolecularWeight: 375.480203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C[NH+](CCC[NH+]2CCOCC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)F)C[NH+](CCC[NH+]2CCOCC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H28FN3O2/c1-26-20-3-4-21(22)19(15-20)17-25(16-18-5-7-23-8-6-18)10-2-9-24-11-13-27-14-12-24/h3-8,15H,2,9-14,16-17H2,1H3/p+2