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

Systemtic Name: 2-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-thenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)CC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)CC4=CC=CS4

InChI

InChI=1S/C18H20N4OS/c23-18-17-6-2-1-4-15(17)12-19-22(18)14-21-9-7-20(8-10-21)13-16-5-3-11-24-16/h1-6,11-12H,7-10,13-14H2/p+1