tert-butyl 4-[(4-methanoylphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methanoylphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(4-formylphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-formylphenyl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-formylphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(4-formylbenzyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)12-14-4-6-15(13-20)7-5-14/h4-7,13H,8-12H2,1-3H3/p+1