2-nitro-5-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonyl-phenolate

Systemtic Name: 2-nitro-5-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonyl-phenolate Openeye Name: 2-nitro-5-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenolate CAS Name: 2-nitro-5-[oxo-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]phenolate IUPAC Name: 2-nitro-5-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenolate Traditional Name: 2-nitro-5-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenolate Formula: C21H20N4O4S MolecularWeight: 424.4729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c26-19-12-16(6-7-18(19)25(28)29)21(27)24-10-8-23(9-11-24)13-17-14-30-20(22-17)15-4-2-1-3-5-15/h1-7,12,14,26H,8-11,13H2