(3-iodanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-iodanylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-iodophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-iodophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-iodophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-iodophenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H17IN3O+ MolecularWeight: 394.23015

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C16H16IN3O/c17-14-5-3-4-13(12-14)16(21)20-10-8-19(9-11-20)15-6-1-2-7-18-15/h1-7,12H,8-11H2/p+1