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

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H26N4O2/c1-3-28-21-7-5-4-6-20(21)26-14-12-25(13-15-26)17(2)22(27)24-19-10-8-18(16-23)9-11-19/h4-11,17H,3,12-15H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1