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

Systemtic Name: 3-[4-oxidanylidene-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-oxo-4-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-oxo-4-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-oxo-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[4-(3-thenyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H23N3O3S/c24-19(22-11-9-21(10-12-22)14-16-7-13-27-15-16)6-3-8-23-17-4-1-2-5-18(17)26-20(23)25/h1-2,4-5,7,13,15H,3,6,8-12,14H2/p+1