(3R)-1-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3R)-1-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1R)-1,3-dimethyl-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2R)-4-methyl-4-(5-methyl-2-furanyl)pentan-2-yl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(2R)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1R)-1,3-dimethyl-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-3-carboxylate Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)(C)CC(C)[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(C)(C)C[C@@H](C)[NH+]2CCC[C@H](C2)C(=O)[O-]

InChI

InChI=1S/C17H27NO3/c1-12(18-9-5-6-14(11-18)16(19)20)10-17(3,4)15-8-7-13(2)21-15/h7-8,12,14H,5-6,9-11H2,1-4H3,(H,19,20)/t12-,14-/m1/s1