(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(4,5-dimethyl-2-furanyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-3-ol Formula: C18H32N2O2+2 MolecularWeight: 308.45888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3)C

InChI

InChI=1S/C18H30N2O2/c1-14-11-16(22-15(14)2)12-19-10-7-17(18(21)13-19)20-8-5-3-4-6-9-20/h11,17-18,21H,3-10,12-13H2,1-2H3/p+2/t17-,18-/m1/s1