2-[(1R)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(4-veratrylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Formula: C23H29N4O3+ MolecularWeight: 409.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c1-16(22-24-19-7-5-4-6-18(19)23(28)25-22)27-12-10-26(11-13-27)15-17-8-9-20(29-2)21(14-17)30-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,25,28)/p+1/t16-/m1/s1