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

Systemtic Name: (2S)-2-phenoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Openeye Name: (2S)-2-phenoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide CAS Name: (2S)-2-phenoxy-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]propanamide IUPAC Name: (2S)-2-phenoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide Traditional Name: (2S)-2-phenoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-18(26-20-10-6-3-7-11-20)21(25)22-12-13-23-14-16-24(17-15-23)19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,22,25)/p+1/t18-/m0/s1