1-(4-ethylpiperazin-4-ium-1-yl)-4-thiophen-2-yl-phthalazine

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-thiophen-2-yl-phthalazine Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-(2-thienyl)phthalazine CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-4-thiophen-2-ylphthalazine IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-thiophen-2-ylphthalazine Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-4-(2-thienyl)phthalazine Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C18H20N4S/c1-2-21-9-11-22(12-10-21)18-15-7-4-3-6-14(15)17(19-20-18)16-8-5-13-23-16/h3-8,13H,2,9-12H2,1H3/p+1