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

Systemtic Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(3-methylbut-2-enyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-indol-3-ylmethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O/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/h3-7,13,18,21,24H,8-12,14-15H2,1-2H3/p+1/t18-/m0/s1