2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone CAS Name: 2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone Formula: C23H27N6O+ MolecularWeight: 403.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C23H26N6O/c24-23-18-6-2-3-7-19(18)25-21(26-23)15-27-11-13-28(14-12-27)16-22(30)29-10-9-17-5-1-4-8-20(17)29/h1-8H,9-16H2,(H2,24,25,26)/p+1