(4-imidazol-1-yl-3-nitro-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-imidazol-1-yl-3-nitro-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-imidazol-1-yl-3-nitro-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(1-imidazolyl)-3-nitrophenyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-imidazol-1-yl-3-nitrophenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-imidazol-1-yl-3-nitro-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c28-22(19-6-7-20(21(16-19)27(29)30)26-11-9-23-17-26)25-14-12-24(13-15-25)10-8-18-4-2-1-3-5-18/h1-7,9,11,16-17H,8,10,12-15H2/p+1