8-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-2-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 8-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-2-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 8-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-2-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 8-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-2-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-(2,1,3-benzothiadiazol-5-ylmethyl)-4-methyl-2-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-methyl-2-phenethyl-8-(piazthiol-5-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C23H26N5O2S+ MolecularWeight: 436.54984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)CCC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)N(C(=O)C12CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)CCC5=CC=CC=C5

InChI

InChI=1S/C23H25N5O2S/c1-26-22(30)28(12-9-17-5-3-2-4-6-17)21(29)23(26)10-13-27(14-11-23)16-18-7-8-19-20(15-18)25-31-24-19/h2-8,15H,9-14,16H2,1H3/p+1