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

Systemtic Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CNC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O/c1-15(2)12-22-9-8-21(14-17(22)7-10-23)13-16-11-20-19-6-4-3-5-18(16)19/h3-6,11,15,17,20,23H,7-10,12-14H2,1-2H3/p+1/t17-/m0/s1