N-(3-morpholin-4-ium-4-ylpropyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C14H19N4O5S+ MolecularWeight: 355.38946

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O5S/c19-18(20)11-2-3-12-13(10-11)24(21,22)16-14(12)15-4-1-5-17-6-8-23-9-7-17/h2-3,10H,1,4-9H2,(H,15,16)/p+1