1-cyclopentyl-4-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperazin-1-ium

Systemtic Name: 1-cyclopentyl-4-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperazin-1-ium Openeye Name: 1-cyclopentyl-4-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]piperazin-1-ium CAS Name: 1-cyclopentyl-4-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]piperazin-1-ium IUPAC Name: 1-cyclopentyl-4-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperazin-1-ium Traditional Name: 1-cyclopentyl-4-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]piperazin-1-ium Formula: C21H39N4O2S+ MolecularWeight: 411.62496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)CN2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)CN2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C21H38N4O2S/c1-17(2)9-10-25-20(15-22-21(25)28(26,27)18(3)4)16-23-11-13-24(14-12-23)19-7-5-6-8-19/h15,17-19H,5-14,16H2,1-4H3/p+1