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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-1-p-anisyl-piperazin-4-ium-2-one Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(C(=O)C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(C(=O)C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H30N4O4S/c1-16(2)12-25-18(11-22-21(25)30(4,27)28)14-23-9-10-24(20(26)15-23)13-17-5-7-19(29-3)8-6-17/h5-8,11,16H,9-10,12-15H2,1-4H3/p+1