3-(1,3-benzothiazol-2-yl)-N-ethyl-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-ethyl-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-ethyl-1-methyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-N-ethyl-1-methyl-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-ethyl-1-methyl-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-ethyl-amine Formula: C13H18N4OS MolecularWeight: 278.37322

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CN(C[N+]1(C2=NC3=CC=CC=C3S2)[O-])C

Isomeric SMILES

CCNC1CN(C[N+]1(C2=NC3=CC=CC=C3S2)[O-])C

InChI

InChI=1S/C13H18N4OS/c1-3-14-12-8-16(2)9-17(12,18)13-15-10-6-4-5-7-11(10)19-13/h4-7,12,14H,3,8-9H2,1-2H3