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

Systemtic Name: 6-phenyl-3-(piperidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 6-phenyl-3-(piperidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 6-phenyl-3-(1-piperidin-1-iumylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 6-phenyl-3-(piperidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 6-phenyl-3-(piperidin-1-ium-1-ylmethyl)-[1,2,4]triazolo[3,4-a]phthalazine Formula: C21H22N5+ MolecularWeight: 344.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NN=C3N2N=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=NN=C3N2N=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C21H21N5/c1-3-9-16(10-4-1)20-17-11-5-6-12-18(17)21-23-22-19(26(21)24-20)15-25-13-7-2-8-14-25/h1,3-6,9-12H,2,7-8,13-15H2/p+1