3-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-5-(2-methylphenyl)-1,2,4-triazine

Systemtic Name: 3-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-5-(2-methylphenyl)-1,2,4-triazine Openeye Name: 3-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-5-(o-tolyl)-1,2,4-triazine CAS Name: 3-[4-(2-methoxyethyl)-1-piperazin-4-iumyl]-5-(2-methylphenyl)-1,2,4-triazine IUPAC Name: 3-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-5-(2-methylphenyl)-1,2,4-triazine Traditional Name: 3-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-5-(o-tolyl)-1,2,4-triazine Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=NC(=N2)N3CC[NH+](CC3)CCOC

Isomeric SMILES

CC1=CC=CC=C1C2=CN=NC(=N2)N3CC[NH+](CC3)CCOC

InChI

InChI=1S/C17H23N5O/c1-14-5-3-4-6-15(14)16-13-18-20-17(19-16)22-9-7-21(8-10-22)11-12-23-2/h3-6,13H,7-12H2,1-2H3/p+1