cyclohexyl-[[4-(4-ethanoylpiperazin-1-yl)quinazolin-2-yl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[4-(4-ethanoylpiperazin-1-yl)quinazolin-2-yl]methyl]-methyl-azanium Openeye Name: [4-(4-acetylpiperazin-1-yl)quinazolin-2-yl]methyl-cyclohexyl-methyl-ammonium CAS Name: [4-(4-acetyl-1-piperazinyl)-2-quinazolinyl]methyl-cyclohexyl-methylammonium IUPAC Name: [4-(4-acetylpiperazin-1-yl)quinazolin-2-yl]methyl-cyclohexyl-methylazanium Traditional Name: [4-(4-acetylpiperazino)quinazolin-2-yl]methyl-cyclohexyl-methyl-ammonium Formula: C22H32N5O+ MolecularWeight: 382.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C[NH+](C)C4CCCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C[NH+](C)C4CCCCC4

InChI

InChI=1S/C22H31N5O/c1-17(28)26-12-14-27(15-13-26)22-19-10-6-7-11-20(19)23-21(24-22)16-25(2)18-8-4-3-5-9-18/h6-7,10-11,18H,3-5,8-9,12-16H2,1-2H3/p+1