2-[(S)-(5-chloranyl-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole

Systemtic Name: 2-[(S)-(5-chloranyl-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole Openeye Name: 2-[(S)-(5-chloro-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole CAS Name: 2-[(S)-(5-chloro-2-methoxyphenyl)-(1-piperazin-4-iumyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(S)-(5-chloro-2-methoxyphenyl)-piperazin-4-ium-1-ylmethyl]-1,3-benzothiazole Traditional Name: 2-[(S)-(5-chloro-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-1,3-benzothiazole Formula: C19H21ClN3OS+ MolecularWeight: 374.90754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=NC3=CC=CC=C3S2)N4CC[NH2+]CC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)[C@@H](C2=NC3=CC=CC=C3S2)N4CC[NH2+]CC4

InChI

InChI=1S/C19H20ClN3OS/c1-24-16-7-6-13(20)12-14(16)18(23-10-8-21-9-11-23)19-22-15-4-2-3-5-17(15)25-19/h2-7,12,18,21H,8-11H2,1H3/p+1/t18-/m0/s1