[4-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-1-piperazin-4-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Formula: C20H21ClN3O3S+ MolecularWeight: 418.91704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=S

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=S

InChI

InChI=1S/C20H20ClN3O3S/c1-26-16-4-2-3-14(11-16)19(25)23-9-7-22(8-10-23)13-24-17-6-5-15(21)12-18(17)27-20(24)28/h2-6,11-12H,7-10,13H2,1H3/p+1