2-[2-(azocan-1-ium-1-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-(azocan-1-ium-1-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-(azocan-1-ium-1-ylmethyl)-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-(1-azocan-1-iumylmethyl)-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-(azocan-1-ium-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-(azocan-1-ium-1-ylmethyl)-4-keto-quinazolin-3-yl]acetamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C18H24N4O2/c19-16(23)12-22-17(13-21-10-6-2-1-3-7-11-21)20-15-9-5-4-8-14(15)18(22)24/h4-5,8-9H,1-3,6-7,10-13H2,(H2,19,23)/p+1