3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-nitro-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-nitro-1,3-benzoxazole-2-thione Formula: C18H18FN4O3S+ MolecularWeight: 389.423923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=S)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=S)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H17FN4O3S/c19-13-1-3-14(4-2-13)21-9-7-20(8-10-21)12-22-16-11-15(23(24)25)5-6-17(16)26-18(22)27/h1-6,11H,7-10,12H2/p+1