4-methyl-2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)phthalazin-1-one

Systemtic Name: 4-methyl-2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)phthalazin-1-one Openeye Name: 4-methyl-2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)phthalazin-1-one CAS Name: 4-methyl-2-[2-nitro-5-(1-piperazin-4-iumyl)phenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-(2-nitro-5-piperazin-4-ium-1-ylphenyl)phthalazin-1-one Traditional Name: 4-methyl-2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)phthalazin-1-one Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CC[NH2+]CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CC[NH2+]CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c1-13-15-4-2-3-5-16(15)19(25)23(21-13)18-12-14(6-7-17(18)24(26)27)22-10-8-20-9-11-22/h2-7,12,20H,8-11H2,1H3/p+1