3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C20H20N5O2+ MolecularWeight: 362.4051

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H19N5O2/c26-20-15-5-1-2-6-16(15)22-23-25(20)13-24-11-9-14(10-12-24)19-21-17-7-3-4-8-18(17)27-19/h1-8,14H,9-13H2/p+1