4-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]ethyl]-4-butyl-morpholin-4-ium

Systemtic Name: 4-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]ethyl]-4-butyl-morpholin-4-ium Openeye Name: 4-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]ethyl]-4-butyl-morpholin-4-ium CAS Name: 4-[2-[2-(1,3-benzothiazol-2-ylthio)ethoxy]ethyl]-4-butylmorpholin-4-ium IUPAC Name: 4-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]ethyl]-4-butylmorpholin-4-ium Traditional Name: 4-[2-[2-(1,3-benzothiazol-2-ylthio)ethoxy]ethyl]-4-butyl-morpholin-4-ium Formula: C19H29N2O2S2+ MolecularWeight: 381.57576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCOCC1)CCOCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC[N+]1(CCOCC1)CCOCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H29N2O2S2/c1-2-3-8-21(9-12-22-13-10-21)11-14-23-15-16-24-19-20-17-6-4-5-7-18(17)25-19/h4-7H,2-3,8-16H2,1H3/q+1