1-methyl-4-piperazin-4-ium-1-yl-phthalazine

Systemtic Name: 1-methyl-4-piperazin-4-ium-1-yl-phthalazine Openeye Name: 1-methyl-4-piperazin-4-ium-1-yl-phthalazine CAS Name: 1-methyl-4-(1-piperazin-4-iumyl)phthalazine IUPAC Name: 1-methyl-4-piperazin-4-ium-1-ylphthalazine Traditional Name: 1-methyl-4-piperazin-4-ium-1-yl-phthalazine Formula: C13H17N4+ MolecularWeight: 229.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)N3CC[NH2+]CC3

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)N3CC[NH2+]CC3

InChI

InChI=1S/C13H16N4/c1-10-11-4-2-3-5-12(11)13(16-15-10)17-8-6-14-7-9-17/h2-5,14H,6-9H2,1H3/p+1