ethyl 4-[(2-oxidanyl-5-phenyl-phenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2-oxidanyl-5-phenyl-phenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2-hydroxy-5-phenyl-phenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-hydroxy-5-phenylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-hydroxy-5-phenylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-hydroxy-5-phenyl-benzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H24N2O3/c1-2-25-20(24)22-12-10-21(11-13-22)15-18-14-17(8-9-19(18)23)16-6-4-3-5-7-16/h3-9,14,23H,2,10-13,15H2,1H3/p+1