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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-chloranyl-2-methoxy-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-2-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(5-chloro-2-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-2-methoxyphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-2-methoxy-phenyl)methanone Formula: C20H21ClN3O2S+ MolecularWeight: 402.91764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20ClN3O2S/c1-26-17-7-6-14(21)12-15(17)20(25)24-10-8-23(9-11-24)13-19-22-16-4-2-3-5-18(16)27-19/h2-7,12H,8-11,13H2,1H3/p+1