4-iodanyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-iodanyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 4-iodo-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 4-iodo-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 4-iodo-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 4-iodo-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide Formula: C20H25IN3O+ MolecularWeight: 450.33647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C20H24IN3O/c1-16-3-2-4-19(15-16)24-13-11-23(12-14-24)10-9-22-20(25)17-5-7-18(21)8-6-17/h2-8,15H,9-14H2,1H3,(H,22,25)/p+1