N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-quinazolin-4-yloxy-ethanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-quinazolin-4-yloxy-ethanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-2-quinazolin-4-yloxy-acetamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-2-(4-quinazolinyloxy)acetamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-2-quinazolin-4-yloxyacetamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-2-quinazolin-4-yloxy-acetamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)COC4=NC=NC5=CC=CC=C54

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)COC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C25H28N4O2/c1-28(24(30)16-31-25-22-10-4-5-11-23(22)26-17-27-25)20-9-6-12-29(15-20)21-13-18-7-2-3-8-19(18)14-21/h2-5,7-8,10-11,17,20-21H,6,9,12-16H2,1H3/p+1/t20-/m0/s1