1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-4-methoxy-piperidin-1-ium

Systemtic Name: 1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Openeye Name: 1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-4-methoxy-piperidin-1-ium CAS Name: 1-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-4-methoxypiperidin-1-ium IUPAC Name: 1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-4-methoxypiperidin-1-ium Traditional Name: 1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-4-methoxy-piperidin-1-ium Formula: C20H38N3O3S+ MolecularWeight: 400.59902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCC(CC2)OC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCC(CC2)OC

InChI

InChI=1S/C20H37N3O3S/c1-5-6-11-23-18(16-22-12-9-19(26-4)10-13-22)15-21-20(23)27(24,25)14-7-8-17(2)3/h15,17,19H,5-14,16H2,1-4H3/p+1