6-chloranyl-3-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[3-oxo-3-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[3-oxo-3-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]propyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[3-keto-3-[4-(3-thenyl)piperazin-4-ium-1-yl]propyl]-1,3-benzoxazol-2-one Formula: C19H21ClN3O3S+ MolecularWeight: 406.90634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C19H20ClN3O3S/c20-15-1-2-16-17(11-15)26-19(25)23(16)5-3-18(24)22-8-6-21(7-9-22)12-14-4-10-27-13-14/h1-2,4,10-11,13H,3,5-9,12H2/p+1