N-tert-butyl-1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: N-tert-butyl-1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: N-tert-butyl-1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-amine CAS Name: N-tert-butyl-1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: N-tert-butyl-1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: tert-butyl-[1-methyl-3-(5-methyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl]amine Formula: C16H24N4OS MolecularWeight: 320.45296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3NC(C)(C)C)C)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3NC(C)(C)C)C)[O-]

InChI

InChI=1S/C16H24N4OS/c1-11-6-7-13-12(8-11)17-15(22-13)20(21)10-19(5)9-14(20)18-16(2,3)4/h6-8,14,18H,9-10H2,1-5H3