4-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one

Systemtic Name: 4-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Openeye Name: 4-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one CAS Name: 4-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1-phenyl-2-piperazin-4-iumone IUPAC Name: 4-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-phenylpiperazin-4-ium-2-one Traditional Name: 4-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1-phenyl-piperazin-4-ium-2-one Formula: C19H27N4O4S+ MolecularWeight: 407.50708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(C(=O)C2)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(C(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C19H26N4O4S/c1-27-12-6-9-23-17(13-20-19(23)28(2,25)26)14-21-10-11-22(18(24)15-21)16-7-4-3-5-8-16/h3-5,7-8,13H,6,9-12,14-15H2,1-2H3/p+1