N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-(2-methylphenoxy)butanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-(2-methylphenoxy)butanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(2-methylphenoxy)butanamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-(2-methylphenoxy)butanamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-(2-methylphenoxy)butanamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(2-methylphenoxy)butyramide Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1OCCCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C22H30N2O3/c1-18-9-3-4-10-20(18)26-16-8-12-22(25)23-17-19(21-11-7-15-27-21)24-13-5-2-6-14-24/h3-4,7,9-11,15,19H,2,5-6,8,12-14,16-17H2,1H3,(H,23,25)/p+1/t19-/m0/s1