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

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-ethanamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-acetamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-2-(4-quinazolinyloxy)acetamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-quinazolin-4-yloxyacetamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-2-quinazolin-4-yloxy-acetamide Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)COC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NC(=O)COC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H23ClN4O2/c23-17-9-7-16(8-10-17)12-27-11-3-4-18(13-27)26-21(28)14-29-22-19-5-1-2-6-20(19)24-15-25-22/h1-2,5-10,15,18H,3-4,11-14H2,(H,26,28)/p+1/t18-/m0/s1