N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-methylphenoxy)propanamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-methylphenoxy)propanamide Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-methylphenoxy)propanamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(3-methylphenoxy)propanamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-methylphenoxy)propanamide Traditional Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-methylphenoxy)propionamide Formula: C21H29N2O3+ MolecularWeight: 357.46656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C21H28N2O3/c1-17-7-5-8-18(15-17)25-14-10-21(24)22-16-19(20-9-6-13-26-20)23-11-3-2-4-12-23/h5-9,13,15,19H,2-4,10-12,14,16H2,1H3,(H,22,24)/p+1/t19-/m1/s1