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

Systemtic Name: (2R)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-pyrimidin-2-yl-propanamide Openeye Name: (2R)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-pyrimidin-2-yl-propanamide CAS Name: (2R)-2-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-1-iumyl]-N-(2-pyrimidinyl)propanamide IUPAC Name: (2R)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-pyrimidin-2-ylpropanamide Traditional Name: (2R)-2-[4-(4-ethoxybenzyl)piperazin-1-ium-1-yl]-N-(2-pyrimidyl)propionamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)C(C)C(=O)NC3=NC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2)[C@H](C)C(=O)NC3=NC=CC=N3

InChI

InChI=1S/C20H27N5O2/c1-3-27-18-7-5-17(6-8-18)15-24-11-13-25(14-12-24)16(2)19(26)23-20-21-9-4-10-22-20/h4-10,16H,3,11-15H2,1-2H3,(H,21,22,23,26)/p+1/t16-/m1/s1