N-[1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-1-ium-2-yl]nitramide; oxetane

Systemtic Name: N-[1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-1-ium-2-yl]nitramide; oxetane Openeye Name: N-[1-[(2-chlorothiazol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-1-ium-2-yl]nitramide; oxetane CAS Name: N-[1-[(2-chloro-5-thiazolyl)methyl]-1-methyl-4,5-dihydroimidazol-1-ium-2-yl]nitramide; oxetane IUPAC Name: N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-1-ium-2-yl]nitramide; oxetane Traditional Name: N-[1-[(2-chlorothiazol-5-yl)methyl]-1-methyl-2-imidazolin-1-ium-2-yl]nitramide; oxetane Formula: C11H17ClN5O3S+ MolecularWeight: 334.80238

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN=C1N[N+](=O)[O-])CC2=CN=C(S2)Cl.C1COC1

Isomeric SMILES

C[N+]1(CCN=C1N[N+](=O)[O-])CC2=CN=C(S2)Cl.C1COC1

InChI

InChI=1S/C8H11ClN5O2S.C3H6O/c1-14(5-6-4-11-7(9)17-6)3-2-10-8(14)12-13(15)16;1-2-4-3-1/h4H,2-3,5H2,1H3,(H,10,12);1-3H2/q+1;