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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O/c1-16(2)7-9-23-11-10-22(15-18(23)8-12-24)14-17-13-21-20-6-4-3-5-19(17)20/h3-6,13,16,18,21,24H,7-12,14-15H2,1-2H3/p+1/t18-/m0/s1