3-nitro-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 3-nitro-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 3-nitro-4-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]benzaldehyde CAS Name: 3-nitro-4-[4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 3-nitro-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 3-nitro-4-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]benzaldehyde Formula: C19H19N4O3S2+ MolecularWeight: 415.50916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=C(C=C(C=C4)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=C(C=C(C=C4)C=O)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S2/c24-11-14-1-2-17(18(9-14)23(25)26)22-6-4-21(5-7-22)10-16-13-28-19(20-16)15-3-8-27-12-15/h1-3,8-9,11-13H,4-7,10H2/p+1