ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: ethyl-(3-fluoro-4-methoxy-benzyl)-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C21H29FN4O2+2 MolecularWeight: 388.478963

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27FN4O2/c1-3-24(15-17-7-8-19(28-2)18(22)14-17)16-21(27)26-12-10-25(11-13-26)20-6-4-5-9-23-20/h4-9,14H,3,10-13,15-16H2,1-2H3/p+2