5-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one iodide

Systemtic Name: 5-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one iodide Openeye Name: 5-(p-tolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one iodide CAS Name: 5-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one iodide IUPAC Name: 5-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one iodide Traditional Name: 5-(p-tolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one iodide Formula: C20H21IN2O MolecularWeight: 432.29801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C(=O)C4=CC=CC=C42.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C(=O)C4=CC=CC=C42.[I-]

InChI

InChI=1S/C20H21N2O.HI/c1-15-10-12-16(13-11-15)22-18-8-5-4-7-17(18)20(23)21-14-6-2-3-9-19(21)22;/h4-5,7-8,10-13H,2-3,6,9,14H2,1H3;1H/q+1;/p-1