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

Systemtic Name: 5-(1-benzofuran-2-yl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Openeye Name: 5-(benzofuran-2-yl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine CAS Name: 5-(2-benzofuranyl)-3-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-1,2,4-triazine IUPAC Name: 5-(1-benzofuran-2-yl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Traditional Name: 5-(benzofuran-2-yl)-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1,2,4-triazine Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC(=CN=N3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC(=CN=N3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H23N5O2/c1-2-7-19(8-3-1)29-15-14-27-10-12-28(13-11-27)23-25-20(17-24-26-23)22-16-18-6-4-5-9-21(18)30-22/h1-9,16-17H,10-15H2/p+1