tert-butyl (2S)-2-(1H-indol-3-ylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(1H-indol-3-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (2S)-2-(1H-indol-3-ylmethyl)piperazin-4-ium-1-carboxylate CAS Name: (2S)-2-(1H-indol-3-ylmethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(1H-indol-3-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: (2S)-2-(1H-indol-3-ylmethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H26N3O2+ MolecularWeight: 316.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH2+]CC1CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H25N3O2/c1-18(2,3)23-17(22)21-9-8-19-12-14(21)10-13-11-20-16-7-5-4-6-15(13)16/h4-7,11,14,19-20H,8-10,12H2,1-3H3/p+1/t14-/m0/s1