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

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-quinazolin-4-one Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-quinazolin-4-one CAS Name: 2-(1-piperidin-1-iumylmethyl)-1H-quinazolin-4-one IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-quinazolin-4-one Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)-1H-quinazolin-4-one Formula: C14H18N3O+ MolecularWeight: 244.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C14H17N3O/c18-14-11-6-2-3-7-12(11)15-13(16-14)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,15,16,18)/p+1