3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H23N5O2/c1-2-27-19-10-6-5-9-18(19)24-13-11-23(12-14-24)15-25-20(26)16-7-3-4-8-17(16)21-22-25/h3-10H,2,11-15H2,1H3/p+1