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

Systemtic Name: (3S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-3-propoxy-piperidin-1-ium Openeye Name: (3S)-1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-3-propoxy-piperidin-1-ium CAS Name: (3S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-3-propoxypiperidin-1-ium IUPAC Name: (3S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-3-propoxypiperidin-1-ium Traditional Name: (3S)-1-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-3-propoxy-piperidin-1-ium Formula: C20H38N3O3S+ MolecularWeight: 400.59902

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC[NH+](C1)CC2=CN=C(N2CCC(C)C)S(=O)(=O)C(C)C

Isomeric SMILES

CCCO[C@H]1CCC[NH+](C1)CC2=CN=C(N2CCC(C)C)S(=O)(=O)C(C)C

InChI

InChI=1S/C20H37N3O3S/c1-6-12-26-19-8-7-10-22(15-19)14-18-13-21-20(27(24,25)17(4)5)23(18)11-9-16(2)3/h13,16-17,19H,6-12,14-15H2,1-5H3/p+1/t19-/m0/s1