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

Systemtic Name: [4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]-phenyl-methanone Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O4/c1-16-20(17(2)31-24-16)15-25-10-12-26(13-11-25)21-9-8-19(14-22(21)27(29)30)23(28)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3/p+1