dimethyl-[2-[4-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[4-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethyl]azanium Openeye Name: dimethyl-[2-[4-(4-oxo-3-phenyl-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]ethyl]ammonium CAS Name: dimethyl-[2-[4-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-1-piperazin-1-iumyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[4-(4-oxo-3-phenylphthalazine-1-carbonyl)piperazin-1-ium-1-yl]ethyl]azanium Traditional Name: 2-[4-(4-keto-3-phenyl-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium Formula: C23H29N5O2+2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CC[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-25(2)12-13-26-14-16-27(17-15-26)23(30)21-19-10-6-7-11-20(19)22(29)28(24-21)18-8-4-3-5-9-18/h3-11H,12-17H2,1-2H3/p+2