3-(3,4-dimethylphenyl)-1-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]quinazoline-2,4-dione

Systemtic Name: 3-(3,4-dimethylphenyl)-1-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]quinazoline-2,4-dione Openeye Name: 3-(3,4-dimethylphenyl)-1-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]quinazoline-2,4-dione CAS Name: 3-(3,4-dimethylphenyl)-1-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]quinazoline-2,4-dione IUPAC Name: 3-(3,4-dimethylphenyl)-1-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]quinazoline-2,4-dione Traditional Name: 3-(3,4-dimethylphenyl)-1-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]quinazoline-2,4-quinone Formula: C24H29N4O3+ MolecularWeight: 421.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C24H28N4O3/c1-4-25-11-13-26(14-12-25)22(29)16-27-21-8-6-5-7-20(21)23(30)28(24(27)31)19-10-9-17(2)18(3)15-19/h5-10,15H,4,11-14,16H2,1-3H3/p+1