ethyl 4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-benzyloxyphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3-benzoxybenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-2-25-21(24)23-13-11-22(12-14-23)16-19-9-6-10-20(15-19)26-17-18-7-4-3-5-8-18/h3-10,15H,2,11-14,16-17H2,1H3/p+1