3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C17H19N3O2S/c21-17-20(15-3-1-2-4-16(15)22-17)13-19-8-6-18(7-9-19)11-14-5-10-23-12-14/h1-5,10,12H,6-9,11,13H2/p+1