(2-chloranyl-4-nitro-phenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C21H20ClN4O3S+ MolecularWeight: 443.9265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3S/c22-19-12-17(26(28)29)6-7-18(19)21(27)25-10-8-24(9-11-25)13-16-14-30-20(23-16)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2/p+1