[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: [4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [4-(3-fluorobenzyl)piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone Formula: C19H21FN3O3+ MolecularWeight: 358.386743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O3/c1-14-11-16(5-6-18(14)23(25)26)19(24)22-9-7-21(8-10-22)13-15-3-2-4-17(20)12-15/h2-6,11-12H,7-10,13H2,1H3/p+1