N-[4-iodanyl-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]naphthalene-1-carboxamide

Systemtic Name: N-[4-iodanyl-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]naphthalene-1-carboxamide Openeye Name: N-[4-iodo-2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]naphthalene-1-carboxamide CAS Name: N-[4-iodo-2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-1-naphthalenecarboxamide IUPAC Name: N-[4-iodo-2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]naphthalene-1-carboxamide Traditional Name: N-[4-iodo-2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-1-naphthamide Formula: C23H23IN3O2+ MolecularWeight: 500.35209

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)I)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)I)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22IN3O2/c1-26-11-13-27(14-12-26)23(29)20-15-17(24)9-10-21(20)25-22(28)19-8-4-6-16-5-2-3-7-18(16)19/h2-10,15H,11-14H2,1H3,(H,25,28)/p+1