3-fluoranyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde

Systemtic Name: 3-fluoranyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde Openeye Name: 3-fluoro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde CAS Name: 3-fluoro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzaldehyde IUPAC Name: 3-fluoro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde Traditional Name: 3-fluoro-4-(4-pyridin-1-ium-2-ylpiperazino)benzaldehyde Formula: C16H17FN3O+ MolecularWeight: 286.324083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C=O)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C=O)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H16FN3O/c17-14-11-13(12-21)4-5-15(14)19-7-9-20(10-8-19)16-3-1-2-6-18-16/h1-6,11-12H,7-10H2/p+1