tert-butyl 4-[(3-aminophenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-aminophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(3-aminophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-aminophenyl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-aminophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3-aminobenzyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-7-18(8-10-19)12-13-5-4-6-14(17)11-13/h4-6,11H,7-10,12,17H2,1-3H3/p+1