(3-iodanylphenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-iodanylphenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-iodophenyl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-iodophenyl)-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-iodophenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-iodophenyl)-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C19H22IN2O+ MolecularWeight: 421.29525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C19H21IN2O/c1-15-4-2-5-16(12-15)14-21-8-10-22(11-9-21)19(23)17-6-3-7-18(20)13-17/h2-7,12-13H,8-11,14H2,1H3/p+1