3-(4-oxidanylidenequinazolin-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(4-oxidanylidenequinazolin-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-(4-oxoquinazolin-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(4-oxo-3-quinazolinyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(4-oxoquinazolin-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(4-ketoquinazolin-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H28N4O2/c29-23(13-16-28-18-25-22-11-5-4-10-21(22)24(28)30)26-20-9-6-14-27(17-20)15-12-19-7-2-1-3-8-19/h1-5,7-8,10-11,18,20H,6,9,12-17H2,(H,26,29)/p+1/t20-/m0/s1