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

Systemtic Name: 3-(2-oxidanylidenepropyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-one Openeye Name: 3-acetonyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-one CAS Name: 3-(2-oxopropyl)-2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinone IUPAC Name: 3-(2-oxopropyl)-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-one Traditional Name: 3-acetonyl-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-one Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)C[NH+]3CCCC3

Isomeric SMILES

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)C[NH+]3CCCC3

InChI

InChI=1S/C16H19N3O2/c1-12(20)10-19-15(11-18-8-4-5-9-18)17-14-7-3-2-6-13(14)16(19)21/h2-3,6-7H,4-5,8-11H2,1H3/p+1