6-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine

Systemtic Name: 6-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 6-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 6-phenyl-3-(1-pyrrolidin-1-iumylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 6-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 6-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine Formula: C20H20N5+ MolecularWeight: 330.4063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C3N2N=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C3N2N=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C20H19N5/c1-2-8-15(9-3-1)19-16-10-4-5-11-17(16)20-22-21-18(25(20)23-19)14-24-12-6-7-13-24/h1-5,8-11H,6-7,12-14H2/p+1