(1S)-2-(azepan-1-ium-1-yl)-1-pyridin-4-yl-ethanol

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-pyridin-4-yl-ethanol Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-pyridyl)ethanol CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-pyridin-4-ylethanol IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-pyridin-4-ylethanol Traditional Name: (1S)-2-(azepan-1-ium-1-yl)-1-(4-pyridyl)ethanol Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(C2=CC=NC=C2)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@H](C2=CC=NC=C2)O

InChI

InChI=1S/C13H20N2O/c16-13(12-5-7-14-8-6-12)11-15-9-3-1-2-4-10-15/h5-8,13,16H,1-4,9-11H2/p+1/t13-/m1/s1