N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-(4-ketoquinazolin-3-yl)-N-methyl-propionamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C26H30N4O2/c1-28(25(31)12-14-30-18-27-24-11-5-4-10-23(24)26(30)32)21-9-6-13-29(17-21)22-15-19-7-2-3-8-20(19)16-22/h2-5,7-8,10-11,18,21-22H,6,9,12-17H2,1H3/p+1/t21-/m0/s1