N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-2-phenyl-propanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-2-phenyl-propanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-2-phenyl-propanamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-methyl-2-phenylpropanamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-methyl-2-phenylpropanamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-2-phenyl-propionamide Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-21(2,17-10-5-3-6-11-17)20(24)22-16-18(19-12-9-15-25-19)23-13-7-4-8-14-23/h3,5-6,9-12,15,18H,4,7-8,13-14,16H2,1-2H3,(H,22,24)/p+1/t18-/m0/s1