1-(3,4-dimethylphenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phthalazine

Systemtic Name: 1-(3,4-dimethylphenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phthalazine Openeye Name: 1-(3,4-dimethylphenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phthalazine CAS Name: 1-(3,4-dimethylphenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phthalazine IUPAC Name: 1-(3,4-dimethylphenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phthalazine Traditional Name: 1-(3,4-dimethylphenyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)phthalazine Formula: C22H27N4+ MolecularWeight: 347.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCC[NH+](CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCC[NH+](CC4)C)C

InChI

InChI=1S/C22H26N4/c1-16-9-10-18(15-17(16)2)21-19-7-4-5-8-20(19)22(24-23-21)26-12-6-11-25(3)13-14-26/h4-5,7-10,15H,6,11-14H2,1-3H3/p+1