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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

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