(2S)-2-(2-chloranylphenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propanamide

Systemtic Name: (2S)-2-(2-chloranylphenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propanamide Openeye Name: (2S)-2-(2-chlorophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propanamide CAS Name: (2S)-2-(2-chlorophenoxy)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]propanamide IUPAC Name: (2S)-2-(2-chlorophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propanamide Traditional Name: (2S)-2-(2-chlorophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]propionamide Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C[NH+]2CCCC2)OC3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C[NH+]2CCCC2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN2O2/c1-15(25-19-7-3-2-6-18(19)21)20(24)22-17-10-8-16(9-11-17)14-23-12-4-5-13-23/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,22,24)/p+1/t15-/m0/s1