5-(2-fluorophenyl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine

Systemtic Name: 5-(2-fluorophenyl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Openeye Name: 5-(2-fluorophenyl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine CAS Name: 5-(2-fluorophenyl)-3-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-1,2,4-triazine IUPAC Name: 5-(2-fluorophenyl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Traditional Name: 5-(2-fluorophenyl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Formula: C21H23FN5O+ MolecularWeight: 380.438623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC(=CN=N3)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC(=CN=N3)C4=CC=CC=C4F

InChI

InChI=1S/C21H22FN5O/c22-19-9-5-4-8-18(19)20-16-23-25-21(24-20)27-12-10-26(11-13-27)14-15-28-17-6-2-1-3-7-17/h1-9,16H,10-15H2/p+1