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

Systemtic Name: [4-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-cyclopropyl-methanone Openeye Name: [4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-cyclopropyl-methanone CAS Name: [4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-1-piperazin-4-iumyl]-cyclopropylmethanone IUPAC Name: [4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-cyclopropylmethanone Traditional Name: [4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-cyclopropyl-methanone Formula: C16H19ClN3O2S+ MolecularWeight: 352.85896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=S

Isomeric SMILES

C1CC1C(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)OC3=S

InChI

InChI=1S/C16H18ClN3O2S/c17-12-3-4-13-14(9-12)22-16(23)20(13)10-18-5-7-19(8-6-18)15(21)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2/p+1