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

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-thiophen-2-yl-phthalazine Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-(2-thienyl)phthalazine CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-4-thiophen-2-ylphthalazine IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-thiophen-2-ylphthalazine Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-(2-thienyl)phthalazine Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4S/c1-20-8-10-21(11-9-20)17-14-6-3-2-5-13(14)16(18-19-17)15-7-4-12-22-15/h2-7,12H,8-11H2,1H3/p+1