tert-butyl 4-[2-(3-methanoylphenoxy)ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-methanoylphenoxy)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-formylphenoxy)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(3-formylphenoxy)ethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-formylphenoxy)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(3-formylphenoxy)ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CCOC2=CC=CC(=C2)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CCOC2=CC=CC(=C2)C=O

InChI

InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-9-7-19(8-10-20)11-12-23-16-6-4-5-15(13-16)14-21/h4-6,13-14H,7-12H2,1-3H3/p+1