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

Systemtic Name: 3-(4-oxidanylidenequinazolin-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: 3-(4-oxoquinazolin-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: 3-(4-oxo-3-quinazolinyl)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(4-oxoquinazolin-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: 3-(4-ketoquinazolin-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propionamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H30N4O2/c30-24(14-17-29-19-26-23-13-5-4-12-22(23)25(29)31)27-21-11-7-16-28(18-21)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,12-13,19,21H,6-7,10-11,14-18H2,(H,27,30)/p+1/t21-/m0/s1