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

Systemtic Name: 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]azocan-1-ium Openeye Name: 1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]azocan-1-ium CAS Name: 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]azocan-1-ium IUPAC Name: 1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]azocan-1-ium Traditional Name: 1-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]azocan-1-ium Formula: C19H36N3O2S+ MolecularWeight: 370.57304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCCCCCC2

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCCCCCC2

InChI

InChI=1S/C19H35N3O2S/c1-16(2)10-13-22-18(14-20-19(22)25(23,24)17(3)4)15-21-11-8-6-5-7-9-12-21/h14,16-17H,5-13,15H2,1-4H3/p+1