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

Systemtic Name: 5-(4-chlorophenyl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Openeye Name: 5-(4-chlorophenyl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine CAS Name: 5-(4-chlorophenyl)-3-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-1,2,4-triazine IUPAC Name: 5-(4-chlorophenyl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Traditional Name: 5-(4-chlorophenyl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Formula: C21H23ClN5O+ MolecularWeight: 396.89322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O/c22-18-8-6-17(7-9-18)20-16-23-25-21(24-20)27-12-10-26(11-13-27)14-15-28-19-4-2-1-3-5-19/h1-9,16H,10-15H2/p+1