4-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)phthalazin-1-amine

Systemtic Name: 4-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)phthalazin-1-amine Openeye Name: 4-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)phthalazin-1-amine CAS Name: 4-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-phthalazinamine IUPAC Name: 4-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)phthalazin-1-amine Traditional Name: [4-(3,4-dimethylphenyl)phthalazin-1-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCC[NH+]4CCOCC4)C

InChI

InChI=1S/C22H26N4O/c1-16-7-8-18(15-17(16)2)21-19-5-3-4-6-20(19)22(25-24-21)23-9-10-26-11-13-27-14-12-26/h3-8,15H,9-14H2,1-2H3,(H,23,25)/p+1