2-(azocan-1-ium-1-ylmethyl)-1H-quinazolin-4-one

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-1H-quinazolin-4-one Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-1H-quinazolin-4-one CAS Name: 2-(1-azocan-1-iumylmethyl)-1H-quinazolin-4-one IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-1H-quinazolin-4-one Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-1H-quinazolin-4-one Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H21N3O/c20-16-13-8-4-5-9-14(13)17-15(18-16)12-19-10-6-2-1-3-7-11-19/h4-5,8-9H,1-3,6-7,10-12H2,(H,17,18,20)/p+1