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

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(pyridin-4-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(4-pyridylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(pyridin-4-ylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(pyridin-4-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-(4-pyridylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1CCO)CC2=CC=NC=C2)C

Isomeric SMILES

CC(=CC[NH+]1CCN(C[C@@H]1CCO)CC2=CC=NC=C2)C

InChI

InChI=1S/C17H27N3O/c1-15(2)5-9-20-11-10-19(14-17(20)6-12-21)13-16-3-7-18-8-4-16/h3-5,7-8,17,21H,6,9-14H2,1-2H3/p+1/t17-/m0/s1