2-methyl-4-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one Openeye Name: 2-methyl-4-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one CAS Name: 2-methyl-4-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]-2-methyl-phthalazin-1-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C20H22N4O2S/c1-22-20(26)17-5-3-2-4-16(17)18(21-22)12-19(25)24-9-7-23(8-10-24)13-15-6-11-27-14-15/h2-6,11,14H,7-10,12-13H2,1H3/p+1