N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-ethanamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-ethanamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-acetamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-(4-quinazolinyloxy)acetamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-quinazolin-4-yloxyacetamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-acetamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)COC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)COC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O2/c28-22(16-29-23-20-10-4-5-11-21(20)24-17-25-23)26-19-9-6-13-27(15-19)14-12-18-7-2-1-3-8-18/h1-5,7-8,10-11,17,19H,6,9,12-16H2,(H,26,28)/p+1/t19-/m0/s1