2-[2-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]-2-keto-ethyl]thio]acetate Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)CSCC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)CSCC(=O)[O-]

InChI

InChI=1S/C17H18ClN3O3S/c18-12-1-2-13-14(9-12)19-4-3-15(13)20-5-7-21(8-6-20)16(22)10-25-11-17(23)24/h1-4,9H,5-8,10-11H2,(H,23,24)