2-[(2S)-1-(2,2-dimethylpropyl)-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(1H-indol-3-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2,2-dimethylpropyl)-4-(1H-indol-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-neopentyl-piperazin-4-ium-2-yl]ethanol Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CC[NH+](CC1CCO)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)CN1CC[NH+](C[C@@H]1CCO)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H31N3O/c1-20(2,3)15-23-10-9-22(14-17(23)8-11-24)13-16-12-21-19-7-5-4-6-18(16)19/h4-7,12,17,21,24H,8-11,13-15H2,1-3H3/p+1/t17-/m0/s1