4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]-2H-phthalazin-1-one Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H21N5O2S/c1-13-20-14(12-27-13)11-23-6-8-24(9-7-23)18(25)10-17-15-4-2-3-5-16(15)19(26)22-21-17/h2-5,12H,6-11H2,1H3,(H,22,26)/p+1