(2S)-2-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-ethanoate

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-ethanoate Openeye Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(1-piperidin-1-iumyl)acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ium-1-ylacetate Traditional Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-acetate Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C16H20N2O3/c1-21-11-5-6-14-12(9-11)13(10-17-14)15(16(19)20)18-7-3-2-4-8-18/h5-6,9-10,15,17H,2-4,7-8H2,1H3,(H,19,20)/t15-/m0/s1