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

Systemtic Name: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-N-naphthalen-2-yl-3-nitro-benzamide Openeye Name: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-N-(2-naphthyl)-3-nitro-benzamide CAS Name: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]-N-(2-naphthalenyl)-3-nitrobenzamide IUPAC Name: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-N-naphthalen-2-yl-3-nitrobenzamide Traditional Name: 4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-N-(2-naphthyl)-3-nitro-benzamide Formula: C25H25N6O4+ MolecularWeight: 473.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O4/c1-17-26-24(35-28-17)16-29-10-12-30(13-11-29)22-9-7-20(15-23(22)31(33)34)25(32)27-21-8-6-18-4-2-3-5-19(18)14-21/h2-9,14-15H,10-13,16H2,1H3,(H,27,32)/p+1