ethyl 4-[(2R)-2-oxidanyl-3-(4-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-(4-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(4-isopropylphenoxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-(4-isopropylphenoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H31N2O4+ MolecularWeight: 351.46044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C(C)C)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC=C(C=C2)C(C)C)O

InChI

InChI=1S/C19H30N2O4/c1-4-24-19(23)21-11-9-20(10-12-21)13-17(22)14-25-18-7-5-16(6-8-18)15(2)3/h5-8,15,17,22H,4,9-14H2,1-3H3/p+1/t17-/m1/s1