cyclopropyl-[5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-yl]methanone

Systemtic Name: cyclopropyl-[5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-yl]methanone Openeye Name: cyclopropyl-[5-hydroxy-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-yl]methanone CAS Name: cyclopropyl-[5-hydroxy-4-(1-piperidin-1-iumylmethyl)-3-benzofuranyl]methanone IUPAC Name: cyclopropyl-[5-hydroxy-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-yl]methanone Traditional Name: cyclopropyl-[5-hydroxy-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-yl]methanone Formula: C18H22NO3+ MolecularWeight: 300.37218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4CC4)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4CC4)O

InChI

InChI=1S/C18H21NO3/c20-15-6-7-16-17(13(15)10-19-8-2-1-3-9-19)14(11-22-16)18(21)12-4-5-12/h6-7,11-12,20H,1-5,8-10H2/p+1