2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Formula: C18H21FN4O+2 MolecularWeight: 328.383943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C18H19FN4O/c1-24-17-5-4-16(19)11-15(17)13-22-7-9-23(10-8-22)18-14(12-20)3-2-6-21-18/h2-6,11H,7-10,13H2,1H3/p+2