(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]propanamide

Systemtic Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]propanamide Openeye Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]propanamide CAS Name: (2S)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[(2S)-2-phenylbutyl]propanamide IUPAC Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]propanamide Traditional Name: (2S)-2-(4-o-phenetylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]propionamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)[NH+]1CCN(CC1)C2=CC=CC=C2OCC)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=CC=CC=C2OCC)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O2/c1-4-21(22-11-7-6-8-12-22)19-26-25(29)20(3)27-15-17-28(18-16-27)23-13-9-10-14-24(23)30-5-2/h6-14,20-21H,4-5,15-19H2,1-3H3,(H,26,29)/p+1/t20-,21+/m0/s1