ethyl 4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(4-benzoxy-3-methoxy-benzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-3-27-22(25)24-13-11-23(12-14-24)16-19-9-10-20(21(15-19)26-2)28-17-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16-17H2,1-2H3/p+1