tert-butyl (3S)-3-(4-dimethylaminophenyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(4-dimethylaminophenyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (3S)-3-(4-dimethylaminophenyl)piperazin-4-ium-1-carboxylate CAS Name: (3S)-3-(4-dimethylaminophenyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(4-dimethylaminophenyl)piperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-(4-dimethylaminophenyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C17H28N3O2+ MolecularWeight: 306.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH2+]C(C1)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+][C@H](C1)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-11-10-18-15(12-20)13-6-8-14(9-7-13)19(4)5/h6-9,15,18H,10-12H2,1-5H3/p+1/t15-/m1/s1