N-butyl-2-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[(3-cyclopentyl-4,5-dimethyl-2-thioxo-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-butyl-2-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-butyl-2-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylideneimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[(3-cyclopentyl-4,5-dimethyl-2-thioxo-4-imidazolin-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C21H39N5OS+2 MolecularWeight: 409.63226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CC[NH+](CC1)CN2C(=C(N(C2=S)C3CCCC3)C)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CC[NH+](CC1)CN2C(=C(N(C2=S)C3CCCC3)C)C

InChI

InChI=1S/C21H37N5OS/c1-4-5-10-22-20(27)15-23-11-13-24(14-12-23)16-25-17(2)18(3)26(21(25)28)19-8-6-7-9-19/h19H,4-16H2,1-3H3,(H,22,27)/p+2