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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3

InChI

InChI=1S/C18H30N2O2/c1-2-15-7-8-16(22-15)13-19-12-9-17(18(21)14-19)20-10-5-3-4-6-11-20/h7-8,17-18,21H,2-6,9-14H2,1H3/p+2/t17-,18-/m1/s1