[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(7-chloranyl-1,3-benzodioxol-5-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(7-chloranyl-1,3-benzodioxol-5-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(7-chloro-1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanone Formula: C20H19ClN3O3S+ MolecularWeight: 416.90116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C20H18ClN3O3S/c21-14-9-13(10-16-19(14)27-12-26-16)20(25)24-7-5-23(6-8-24)11-18-22-15-3-1-2-4-17(15)28-18/h1-4,9-10H,5-8,11-12H2/p+1