4-methyl-2-[(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Openeye Name: 4-methyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 4-methyl-2-[[4-[4-morpholinyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 4-methyl-2-[[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C[NH+]3CCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C19H25N5O3/c1-15-16-4-2-3-5-17(16)18(25)24(20-15)14-21-6-8-22(9-7-21)19(26)23-10-12-27-13-11-23/h2-5H,6-14H2,1H3/p+1