3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H22N4O3/c26-19(15-25-21(28)18-9-5-4-8-17(18)20(27)22-25)24-12-10-23(11-13-24)14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,27)/p+1