2-(4-chloranylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-propanamide Openeye Name: 2-(4-chlorophenoxy)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-propanamide CAS Name: 2-(4-chlorophenoxy)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-methylpropanamide IUPAC Name: 2-(4-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-methylpropanamide Traditional Name: 2-(4-chlorophenoxy)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-propionamide Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCC(C1=CC=CO1)[NH+]2CCCCC2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NC[C@@H](C1=CC=CO1)[NH+]2CCCCC2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN2O3/c1-21(2,27-17-10-8-16(22)9-11-17)20(25)23-15-18(19-7-6-14-26-19)24-12-4-3-5-13-24/h6-11,14,18H,3-5,12-13,15H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1