4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,1,3-benzothiadiazol-5-amine

Systemtic Name: 4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,1,3-benzothiadiazol-5-amine Openeye Name: 4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,1,3-benzothiadiazol-5-amine CAS Name: 4-nitro-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2,1,3-benzothiadiazol-5-amine IUPAC Name: 4-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,1,3-benzothiadiazol-5-amine Traditional Name: (4-nitropiazthiol-5-yl)-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C12H16N5O2S+ MolecularWeight: 294.35274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC2=C(C3=NSN=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCNC2=C(C3=NSN=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O2S/c18-17(19)12-10(4-3-9-11(12)15-20-14-9)13-5-8-16-6-1-2-7-16/h3-4,13H,1-2,5-8H2/p+1