4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-3-nitro-4-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]benzamide CAS Name: 4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-3-nitro-4-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]benzamide Formula: C24H29N6O4+ MolecularWeight: 465.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O4/c1-16(2)25-24(31)19-8-9-20(21(14-19)30(32)33)29-12-10-28(11-13-29)15-22-26-23(27-34-22)18-6-4-17(3)5-7-18/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,31)/p+1