7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine

Systemtic Name: 7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine Openeye Name: N-benzyl-7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: 7-(4-methyl-1-piperazin-4-iumyl)-4-nitro-N-(phenylmethyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-benzyl-7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: benzyl-[7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-benzofurazan-5-yl]amine Formula: C18H21N6O3+ MolecularWeight: 369.39774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C18H20N6O3/c1-22-7-9-23(10-8-22)15-11-14(19-12-13-5-3-2-4-6-13)18(24(25)26)17-16(15)20-27-21-17/h2-6,11,19H,7-10,12H2,1H3/p+1