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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=[NH+]N=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=[NH+]N=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