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

Systemtic Name: (3-methoxyphenyl)-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone CAS Name: (3-methoxyphenyl)-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone 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(CC2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

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