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

Systemtic Name: (3S)-3-(methoxymethyl)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium Openeye Name: (3S)-1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-3-(methoxymethyl)piperidin-1-ium CAS Name: (3S)-3-(methoxymethyl)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]piperidin-1-ium IUPAC Name: (3S)-3-(methoxymethyl)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-1-ium Traditional Name: (3S)-1-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-3-(methoxymethyl)piperidin-1-ium Formula: C19H36N3O3S+ MolecularWeight: 386.57244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCCC(C2)COC

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCC[C@@H](C2)COC

InChI

InChI=1S/C19H35N3O3S/c1-15(2)8-10-22-18(11-20-19(22)26(23,24)16(3)4)13-21-9-6-7-17(12-21)14-25-5/h11,15-17H,6-10,12-14H2,1-5H3/p+1/t17-/m0/s1