3-(2-oxidanylidenepropyl)-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one

Systemtic Name: 3-(2-oxidanylidenepropyl)-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one Openeye Name: 3-acetonyl-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one CAS Name: 3-(2-oxopropyl)-2-(1-piperidin-1-iumylmethyl)-4-quinazolinone IUPAC Name: 3-(2-oxopropyl)-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one Traditional Name: 3-acetonyl-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)C[NH+]3CCCCC3

Isomeric SMILES

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)C[NH+]3CCCCC3

InChI

InChI=1S/C17H21N3O2/c1-13(21)11-20-16(12-19-9-5-2-6-10-19)18-15-8-4-3-7-14(15)17(20)22/h3-4,7-8H,2,5-6,9-12H2,1H3/p+1