(3S)-N,N-diethyl-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C19H35N4O3S+ MolecularWeight: 399.5712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CN=C(N2CC(C)C)S(=O)(=O)C

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=CN=C(N2CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C19H34N4O3S/c1-6-22(7-2)18(24)16-9-8-10-21(13-16)14-17-11-20-19(27(5,25)26)23(17)12-15(3)4/h11,15-16H,6-10,12-14H2,1-5H3/p+1/t16-/m0/s1