N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(Z)-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(Z)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzylidene]amino]amine Formula: C19H21N6O2S+ MolecularWeight: 397.47404

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N\NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N6O2S/c1-23-8-10-24(11-9-23)17-7-6-15(25(26)27)12-14(17)13-20-22-19-21-16-4-2-3-5-18(16)28-19/h2-7,12-13H,8-11H2,1H3,(H,21,22)/p+1/b20-13-