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

Systemtic Name: ethyl 4-[(4-phenylphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-phenylphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-phenylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-phenylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(4-phenylbenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-2-24-20(23)22-14-12-21(13-15-22)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3/p+1