(3S)-1-[[3-(4-chloranylphenoxy)phenyl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[3-(4-chloranylphenoxy)phenyl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[3-(4-chlorophenoxy)benzyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C23H30ClN2O2+ MolecularWeight: 401.9495

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2O2/c1-3-26(4-2)23(27)19-8-6-14-25(17-19)16-18-7-5-9-22(15-18)28-21-12-10-20(24)11-13-21/h5,7,9-13,15,19H,3-4,6,8,14,16-17H2,1-2H3/p+1/t19-/m0/s1