N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC=C(C=C2)OC(C)C)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC=C(C=C2)OC(C)C)[NH+]3CCCCC3

InChI

InChI=1S/C22H30N2O3/c1-16(2)26-19-10-8-18(9-11-19)22(25)23-15-20(21-12-7-17(3)27-21)24-13-5-4-6-14-24/h7-12,16,20H,4-6,13-15H2,1-3H3,(H,23,25)/p+1/t20-/m0/s1