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

Systemtic Name: [4-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-morpholino-methanone CAS Name: [4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-1-piperazin-4-iumyl]-(4-morpholinyl)methanone IUPAC Name: [4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-morpholino-methanone Formula: C17H22ClN4O3S+ MolecularWeight: 397.89958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=S)C(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)OC2=S)C(=O)N4CCOCC4

InChI

InChI=1S/C17H21ClN4O3S/c18-13-1-2-14-15(11-13)25-17(26)22(14)12-19-3-5-20(6-4-19)16(23)21-7-9-24-10-8-21/h1-2,11H,3-10,12H2/p+1