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

Systemtic Name: 5-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one Openeye Name: 5-(p-tolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one CAS Name: 5-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one IUPAC Name: 5-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one Traditional Name: 5-(p-tolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-one Formula: C20H21N2O+ MolecularWeight: 305.39354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N2O/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/q+1