N-(3-iodanylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-iodanylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(3-iodophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(3-iodophenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(3-iodophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(3-iodophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C18H20IN4O3+ MolecularWeight: 467.28087

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)I)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C18H19IN4O3/c1-21-7-9-22(10-8-21)16-6-5-13(11-17(16)23(25)26)18(24)20-15-4-2-3-14(19)12-15/h2-6,11-12H,7-10H2,1H3,(H,20,24)/p+1