2-[4-[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[6-(benzylamino)-7-nitro-benzofurazan-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C19H23N6O4+ MolecularWeight: 399.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C19H22N6O4/c26-11-10-23-6-8-24(9-7-23)16-12-15(20-13-14-4-2-1-3-5-14)19(25(27)28)18-17(16)21-29-22-18/h1-5,12,20,26H,6-11,13H2/p+1