2-chloranyl-N-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-4-iodanyl-phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-4-iodanyl-phenyl]benzamide Openeye Name: 2-chloro-N-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-4-iodo-phenyl]benzamide CAS Name: 2-chloro-N-[2-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-4-iodophenyl]benzamide IUPAC Name: 2-chloro-N-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-4-iodophenyl]benzamide Traditional Name: 2-chloro-N-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-4-iodo-phenyl]benzamide Formula: C20H22ClIN3O3+ MolecularWeight: 514.76445

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=C(C=CC(=C2)I)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=C(C=CC(=C2)I)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClIN3O3/c21-17-4-2-1-3-15(17)19(27)23-18-6-5-14(22)13-16(18)20(28)25-9-7-24(8-10-25)11-12-26/h1-6,13,26H,7-12H2,(H,23,27)/p+1