(1Z)-2-methyl-1-[(3R)-3-piperidin-1-ium-1-yl-3H-1-benzofuran-2-ylidene]propan-2-ol

Systemtic Name: (1Z)-2-methyl-1-[(3R)-3-piperidin-1-ium-1-yl-3H-1-benzofuran-2-ylidene]propan-2-ol Openeye Name: (1Z)-2-methyl-1-[(3R)-3-piperidin-1-ium-1-yl-3H-benzofuran-2-ylidene]propan-2-ol CAS Name: (1Z)-2-methyl-1-[(3R)-3-(1-piperidin-1-iumyl)-3H-benzofuran-2-ylidene]-2-propanol IUPAC Name: (1Z)-2-methyl-1-[(3R)-3-piperidin-1-ium-1-yl-3H-1-benzofuran-2-ylidene]propan-2-ol Traditional Name: (1Z)-2-methyl-1-[(3R)-3-piperidin-1-ium-1-ylcoumaran-2-ylidene]propan-2-ol Formula: C17H24NO2+ MolecularWeight: 274.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C1C(C2=CC=CC=C2O1)[NH+]3CCCCC3)O

Isomeric SMILES

CC(C)(/C=C\1/[C@@H](C2=CC=CC=C2O1)[NH+]3CCCCC3)O

InChI

InChI=1S/C17H23NO2/c1-17(2,19)12-15-16(18-10-6-3-7-11-18)13-8-4-5-9-14(13)20-15/h4-5,8-9,12,16,19H,3,6-7,10-11H2,1-2H3/p+1/b15-12-/t16-/m1/s1