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

Systemtic Name: 2-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(3-cyclopentyl-4,5-dimethyl-2-thioxo-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazine-1,4-diiumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(3-cyclopentyl-4,5-dimethyl-2-sulfanylideneimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(3-cyclopentyl-4,5-dimethyl-2-thioxo-4-imidazolin-1-yl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C21H39N5O2S+2 MolecularWeight: 425.63166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1C[NH+]2CC[NH+](CC2)CC(=O)NCCCOC)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=S)N1C[NH+]2CC[NH+](CC2)CC(=O)NCCCOC)C3CCCC3)C

InChI

InChI=1S/C21H37N5O2S/c1-17-18(2)26(19-7-4-5-8-19)21(29)25(17)16-24-12-10-23(11-13-24)15-20(27)22-9-6-14-28-3/h19H,4-16H2,1-3H3,(H,22,27)/p+2