2-[(1R)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-[(4-isopropylphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(4-isopropylbenzyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C24H31N4O+ MolecularWeight: 391.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CC[NH+](CC2)C(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)CC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C24H30N4O/c1-17(2)20-10-8-19(9-11-20)16-27-12-14-28(15-13-27)18(3)23-25-22-7-5-4-6-21(22)24(29)26-23/h4-11,17-18H,12-16H2,1-3H3,(H,25,26,29)/p+1/t18-/m1/s1