4-[(1,1-dimethyl-3H-2-benzofuran-5-yl)methyl]piperidin-1-ium chloride

Systemtic Name: 4-[(1,1-dimethyl-3H-2-benzofuran-5-yl)methyl]piperidin-1-ium chloride Openeye Name: 4-[(1,1-dimethyl-3H-isobenzofuran-5-yl)methyl]piperidin-1-ium chloride CAS Name: 4-[(1,1-dimethyl-3H-isobenzofuran-5-yl)methyl]piperidin-1-ium chloride IUPAC Name: 4-[(1,1-dimethyl-3H-2-benzofuran-5-yl)methyl]piperidin-1-ium chloride Traditional Name: 4-[(1,1-dimethylphthalan-5-yl)methyl]piperidin-1-ium chloride Formula: C16H24ClNO MolecularWeight: 281.82086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CO1)C=C(C=C2)CC3CC[NH2+]CC3)C.[Cl-]

Isomeric SMILES

CC1(C2=C(CO1)C=C(C=C2)CC3CC[NH2+]CC3)C.[Cl-]

InChI

InChI=1S/C16H23NO.ClH/c1-16(2)15-4-3-13(10-14(15)11-18-16)9-12-5-7-17-8-6-12;/h3-4,10,12,17H,5-9,11H2,1-2H3;1H