4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-3-nitro-quinolin-2-one

Systemtic Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-3-nitro-quinolin-2-one Openeye Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-3-nitro-quinolin-2-one CAS Name: 4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-1-methyl-3-nitro-2-quinolinone IUPAC Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-3-nitroquinolin-2-one Traditional Name: 4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]-1-methyl-3-nitro-carbostyril Formula: C21H22FN4O3+ MolecularWeight: 397.422783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O3/c1-23-18-5-3-2-4-17(18)19(20(21(23)27)26(28)29)25-12-10-24(11-13-25)14-15-6-8-16(22)9-7-15/h2-9H,10-14H2,1H3/p+1