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(2R)-2-(azepan-1-ium-1-yl)-2-(6-bromanyl-1H-indol-3-yl)ethanoate

(2R)-2-(azepan-1-ium-1-yl)-2-(6-bromanyl-1H-indol-3-yl)ethanoate

Systemtic Name:(2R)-2-(azepan-1-ium-1-yl)-2-(6-bromanyl-1H-indol-3-yl)ethanoate
Openeye Name:(2R)-2-(azepan-1-ium-1-yl)-2-(6-bromo-1H-indol-3-yl)acetate
CAS Name:(2R)-2-(1-azepan-1-iumyl)-2-(6-bromo-1H-indol-3-yl)acetate
IUPAC Name:(2R)-2-(azepan-1-ium-1-yl)-2-(6-bromo-1H-indol-3-yl)acetate
Traditional Name:(2R)-2-(azepan-1-ium-1-yl)-2-(6-bromo-1H-indol-3-yl)acetate
Formula: C16H19BrN2O2
MolecularWeight: 351.23826
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-]


Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-]


InChI

InChI=1S/C16H19BrN2O2/c17-11-5-6-12-13(10-18-14(12)9-11)15(16(20)21)19-7-3-1-2-4-8-19/h5-6,9-10,15,18H,1-4,7-8H2,(H,20,21)/t15-/m1/s1


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