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

Systemtic Name: 3-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-oxo-3-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-oxo-3-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]propyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-keto-3-[4-(3-thenyl)piperazin-4-ium-1-yl]propyl]-1,3-benzoxazol-2-one Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C19H21N3O3S/c23-18(5-7-22-16-3-1-2-4-17(16)25-19(22)24)21-10-8-20(9-11-21)13-15-6-12-26-14-15/h1-4,6,12,14H,5,7-11,13H2/p+1