(3-methoxyphenyl)-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-methoxyphenyl)-[(3S)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-methoxyphenyl)-[(3S)-1-[(5-methyl-2-furanyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-methoxyphenyl)-[(3S)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone Formula: C19H24NO3+ MolecularWeight: 314.39876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H23NO3/c1-14-8-9-18(23-14)13-20-10-4-6-16(12-20)19(21)15-5-3-7-17(11-15)22-2/h3,5,7-9,11,16H,4,6,10,12-13H2,1-2H3/p+1/t16-/m0/s1