N-[2-(4-ethylpiperazin-4-ium-1-yl)carbonyl-4-iodanyl-phenyl]-3-methyl-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)carbonyl-4-iodanyl-phenyl]-3-methyl-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-carbonyl)-4-iodo-phenyl]-3-methyl-benzamide CAS Name: N-[2-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-4-iodophenyl]-3-methylbenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-carbonyl)-4-iodophenyl]-3-methylbenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-carbonyl)-4-iodo-phenyl]-3-methyl-benzamide Formula: C21H25IN3O2+ MolecularWeight: 478.34657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24IN3O2/c1-3-24-9-11-25(12-10-24)21(27)18-14-17(22)7-8-19(18)23-20(26)16-6-4-5-15(2)13-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,26)/p+1