ethyl 4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2,5-dimethylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(2,5-dimethylbenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-4-20-16(19)18-9-7-17(8-10-18)12-15-11-13(2)5-6-14(15)3/h5-6,11H,4,7-10,12H2,1-3H3/p+1