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

Systemtic Name: 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-4-(1-pyrrolidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Formula: C21H40N4O2S+2 MolecularWeight: 412.6329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCC(CC2)[NH+]3CCCC3

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCC(CC2)[NH+]3CCCC3

InChI

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