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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(2,4-dichlorophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone Formula: C19H18Cl2N3OS+ MolecularWeight: 407.33672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2N3OS/c20-13-5-6-14(15(21)11-13)19(25)24-9-7-23(8-10-24)12-18-22-16-3-1-2-4-17(16)26-18/h1-6,11H,7-10,12H2/p+1