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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-chloro-4-nitro-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(2-chloro-4-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-chloro-4-nitrophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-chloro-4-nitro-phenyl)methanone Formula: C19H18ClN4O3S+ MolecularWeight: 417.88922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O3S/c20-15-11-13(24(26)27)5-6-14(15)19(25)23-9-7-22(8-10-23)12-18-21-16-3-1-2-4-17(16)28-18/h1-6,11H,7-10,12H2/p+1