cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: cyclopropyl-(4-fluorobenzyl)-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C21H27FN4O+2 MolecularWeight: 370.463683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC1[NH+](CC2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H25FN4O/c22-18-6-4-17(5-7-18)15-26(19-8-9-19)16-21(27)25-13-11-24(12-14-25)20-3-1-2-10-23-20/h1-7,10,19H,8-9,11-16H2/p+2