N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C23H26ClN4O2+ MolecularWeight: 425.93114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25ClN4O2/c24-18-9-7-17(8-10-18)14-27-12-3-4-19(15-27)26-22(29)11-13-28-16-25-21-6-2-1-5-20(21)23(28)30/h1-2,5-10,16,19H,3-4,11-15H2,(H,26,29)/p+1/t19-/m0/s1