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

Systemtic Name: 1-(3-methoxyphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-(3-methoxyphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-methoxyphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H30N4O3S/c1-16(2)14-24-18(13-21-20(24)28(4,25)26)15-22-8-10-23(11-9-22)17-6-5-7-19(12-17)27-3/h5-7,12-13,16H,8-11,14-15H2,1-4H3/p+1