3-(morpholin-4-ium-4-ylmethyl)-6-nitro-1,3-benzothiazole-2-thione

Systemtic Name: 3-(morpholin-4-ium-4-ylmethyl)-6-nitro-1,3-benzothiazole-2-thione Openeye Name: 3-(morpholin-4-ium-4-ylmethyl)-6-nitro-1,3-benzothiazole-2-thione CAS Name: 3-(4-morpholin-4-iumylmethyl)-6-nitro-1,3-benzothiazole-2-thione IUPAC Name: 3-(morpholin-4-ium-4-ylmethyl)-6-nitro-1,3-benzothiazole-2-thione Traditional Name: 3-(morpholin-4-ium-4-ylmethyl)-6-nitro-1,3-benzothiazole-2-thione Formula: C12H14N3O3S2+ MolecularWeight: 312.38786

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S

Isomeric SMILES

C1COCC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S

InChI

InChI=1S/C12H13N3O3S2/c16-15(17)9-1-2-10-11(7-9)20-12(19)14(10)8-13-3-5-18-6-4-13/h1-2,7H,3-6,8H2/p+1