1-(4-methylphenyl)-4-(2-piperidin-1-ium-1-ylethoxy)phthalazine

Systemtic Name: 1-(4-methylphenyl)-4-(2-piperidin-1-ium-1-ylethoxy)phthalazine Openeye Name: 1-(2-piperidin-1-ium-1-ylethoxy)-4-(p-tolyl)phthalazine CAS Name: 1-(4-methylphenyl)-4-[2-(1-piperidin-1-iumyl)ethoxy]phthalazine IUPAC Name: 1-(4-methylphenyl)-4-(2-piperidin-1-ium-1-ylethoxy)phthalazine Traditional Name: 1-(2-piperidin-1-ium-1-ylethoxy)-4-(p-tolyl)phthalazine Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)OCC[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O/c1-17-9-11-18(12-10-17)21-19-7-3-4-8-20(19)22(24-23-21)26-16-15-25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3/p+1