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

Systemtic Name: 1-[4-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Formula: C16H21ClN3O2S+ MolecularWeight: 354.87484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Cl)OC2=S

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Cl)OC2=S

InChI

InChI=1S/C16H20ClN3O2S/c1-11(2)15(21)19-7-5-18(6-8-19)10-20-13-4-3-12(17)9-14(13)22-16(20)23/h3-4,9,11H,5-8,10H2,1-2H3/p+1