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

Systemtic Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-o-phenetyl-propionamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H27N3O3/c1-3-27-20-11-7-4-8-17(20)22-21(26)16(2)23-12-14-24(15-13-23)18-9-5-6-10-19(18)25/h4-11,16,25H,3,12-15H2,1-2H3,(H,22,26)/p+1/t16-/m0/s1