6-prop-2-enyl-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinazolin-6-ium-5-one iodide

Systemtic Name: 6-prop-2-enyl-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinazolin-6-ium-5-one iodide Openeye Name: 6-allyl-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinazolin-6-ium-5-one iodide CAS Name: 6-prop-2-enyl-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinazolin-6-ium-5-one iodide IUPAC Name: 6-prop-2-enyl-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinazolin-6-ium-5-one iodide Traditional Name: 6-allyl-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinazolin-6-ium-5-one iodide Formula: C16H19IN2O MolecularWeight: 382.23933

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C2CCCCCN2C3=CC=CC=C3C1=O.[I-]

Isomeric SMILES

C=CC[N+]1=C2CCCCCN2C3=CC=CC=C3C1=O.[I-]

InChI

InChI=1S/C16H19N2O.HI/c1-2-11-18-15-10-4-3-7-12-17(15)14-9-6-5-8-13(14)16(18)19;/h2,5-6,8-9H,1,3-4,7,10-12H2;1H/q+1;/p-1