1-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)phthalazine

Systemtic Name: 1-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)phthalazine Openeye Name: 1-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)phthalazine CAS Name: 1-(3,4-dimethylphenyl)-4-(4-ethyl-1-piperazin-4-iumyl)phthalazine IUPAC Name: 1-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)phthalazine Traditional Name: 1-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)phthalazine Formula: C22H27N4+ MolecularWeight: 347.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C22H26N4/c1-4-25-11-13-26(14-12-25)22-20-8-6-5-7-19(20)21(23-24-22)18-10-9-16(2)17(3)15-18/h5-10,15H,4,11-14H2,1-3H3/p+1