2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)ethanamide

Systemtic Name: 2-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)ethanamide Openeye Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-indan-5-yl-acetamide CAS Name: 2-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazin-1-iumyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide IUPAC Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide Traditional Name: 2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-indan-5-yl-acetamide Formula: C24H29N6O+ MolecularWeight: 417.52666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C24H28N6O/c25-24-20-6-1-2-7-21(20)27-22(28-24)15-29-10-12-30(13-11-29)16-23(31)26-19-9-8-17-4-3-5-18(17)14-19/h1-2,6-9,14H,3-5,10-13,15-16H2,(H,26,31)(H2,25,27,28)/p+1