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

Systemtic Name: (3S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C18H33N4O3S+ MolecularWeight: 385.54462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4O3S/c1-13(2)7-9-22-16(10-20-18(22)26(24,25)14(3)4)12-21-8-5-6-15(11-21)17(19)23/h10,13-15H,5-9,11-12H2,1-4H3,(H2,19,23)/p+1/t15-/m0/s1