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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4/c1-3-25-19(23)21-11-9-20(10-12-21)13-18(22)15-24-14-16(2)17-7-5-4-6-8-17/h4-8,16,18,22H,3,9-15H2,1-2H3/p+1/t16-,18+/m0/s1