N-(3-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(3-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(3-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(3-fluorophenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(3-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C18H23FN4O+2 MolecularWeight: 330.399823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC(=CC=C2)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC(=CC=C2)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21FN4O/c19-15-4-3-5-16(14-15)21-18(24)7-9-22-10-12-23(13-11-22)17-6-1-2-8-20-17/h1-6,8,14H,7,9-13H2,(H,21,24)/p+2