(3-methyl-2-nitro-phenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methyl-2-nitro-phenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-methyl-2-nitro-phenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-2-nitrophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-2-nitrophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-methyl-2-nitro-phenyl)-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C19H20N5O4S+ MolecularWeight: 414.4582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C19H19N5O4S/c1-13-4-2-5-14(17(13)24(26)27)19(25)23-9-7-22(8-10-23)12-16-20-18(21-28-16)15-6-3-11-29-15/h2-6,11H,7-10,12H2,1H3/p+1