(2S)-2-(3-chloranylphenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide

Systemtic Name: (2S)-2-(3-chloranylphenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Openeye Name: (2S)-2-(3-chlorophenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide CAS Name: (2S)-2-(3-chlorophenoxy)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]propanamide IUPAC Name: (2S)-2-(3-chlorophenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Traditional Name: (2S)-2-(3-chlorophenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propionamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)OC3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=C2)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-17(27-20-9-5-6-18(22)16-20)21(26)23-10-11-24-12-14-25(15-13-24)19-7-3-2-4-8-19/h2-9,16-17H,10-15H2,1H3,(H,23,26)/p+1/t17-/m0/s1