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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-N-(phenylmethyl)imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-benzyl-1-methyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-N-(phenylmethyl)-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-benzyl-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]-benzyl-amine Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS/c1-21-12-17(19-11-14-7-3-2-4-8-14)22(23,13-21)18-20-15-9-5-6-10-16(15)24-18/h2-10,17,19H,11-13H2,1H3