3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-keto-1H-quinazolin-2-yl)propionamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c28-22(11-10-21-25-20-9-5-4-8-19(20)23(29)26-21)24-18-12-14-27(15-13-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,28)(H,25,26,29)/p+1