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

Systemtic Name: N-methyl-3-(4-oxidanylidenequinazolin-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-methyl-3-(4-oxo-3-quinazolinyl)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-methyl-3-(4-oxoquinazolin-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: 3-(4-ketoquinazolin-3-yl)-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propionamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H32N4O2/c1-28(22-12-8-17-29(19-22)16-7-11-21-9-3-2-4-10-21)25(31)15-18-30-20-27-24-14-6-5-13-23(24)26(30)32/h2-6,9-10,13-14,20,22H,7-8,11-12,15-19H2,1H3/p+1/t22-/m0/s1