[2-(4-chlorophenyl)indolizin-3-yl]-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone

Systemtic Name: [2-(4-chlorophenyl)indolizin-3-yl]-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone Openeye Name: [2-(4-chlorophenyl)indolizin-3-yl]-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone CAS Name: [2-(4-chlorophenyl)-3-indolizinyl]-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methanone IUPAC Name: [2-(4-chlorophenyl)indolizin-3-yl]-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methanone Traditional Name: [2-(4-chlorophenyl)indolizin-3-yl]-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methanone Formula: C26H24ClN4O3+ MolecularWeight: 475.94676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=C(C=C4N3C=CC=C4)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=C(C=C4N3C=CC=C4)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H23ClN4O3/c1-28-12-14-29(15-13-28)23-10-7-19(16-24(23)31(33)34)26(32)25-22(18-5-8-20(27)9-6-18)17-21-4-2-3-11-30(21)25/h2-11,16-17H,12-15H2,1H3/p+1