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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3OCC

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3OCC

InChI

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