1,2-benzoxazin-2-ium 2-oxide; 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one

Systemtic Name: 1,2-benzoxazin-2-ium 2-oxide; 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one Openeye Name: 1,2-benzoxazin-2-ium 2-oxide; 1-(4-piperidyl)-4H-3,1-benzoxazin-2-one CAS Name: 1,2-benzoxazin-2-ium 2-oxide; 1-(4-piperidinyl)-4H-3,1-benzoxazin-2-one IUPAC Name: 1,2-benzoxazin-2-ium 2-oxide; 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one Traditional Name: 1,2-benzoxazin-2-ium 2-oxide; 1-(4-piperidyl)-4H-3,1-benzoxazin-2-one Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C3=CC=CC=C3COC2=O.C1=CC=C2C(=C1)C=C[N+](=O)O2

Isomeric SMILES

C1CNCCC1N2C3=CC=CC=C3COC2=O.C1=CC=C2C(=C1)C=C[N+](=O)O2

InChI

InChI=1S/C13H16N2O2.C8H6NO2/c16-13-15(11-5-7-14-8-6-11)12-4-2-1-3-10(12)9-17-13;10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4,11,14H,5-9H2;1-6H/q;+1