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

Systemtic Name: 4-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)phthalazin-2-ium-1-amine Openeye Name: 4-(3,4-dimethylphenyl)-N-(3-morpholinopropyl)phthalazin-2-ium-1-amine CAS Name: 4-(3,4-dimethylphenyl)-N-[3-(4-morpholinyl)propyl]-1-phthalazin-2-iumamine IUPAC Name: 4-(3,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)phthalazin-2-ium-1-amine Traditional Name: [4-(3,4-dimethylphenyl)phthalazin-2-ium-1-yl]-(3-morpholinopropyl)amine Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NCCCN4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NCCCN4CCOCC4)C

InChI

InChI=1S/C23H28N4O/c1-17-8-9-19(16-18(17)2)22-20-6-3-4-7-21(20)23(26-25-22)24-10-5-11-27-12-14-28-15-13-27/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,26)/p+1