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methyl (2S)-2-(3H-isoindol-2-ium-1-ylamino)propanoate

methyl (2S)-2-(3H-isoindol-2-ium-1-ylamino)propanoate

Systemtic Name:methyl (2S)-2-(3H-isoindol-2-ium-1-ylamino)propanoate
Openeye Name:methyl (2S)-2-(3H-isoindol-2-ium-1-ylamino)propanoate
CAS Name:(2S)-2-(3H-isoindol-2-ium-1-ylamino)propanoic acid methyl ester
IUPAC Name:methyl (2S)-2-(3H-isoindol-2-ium-1-ylamino)propanoate
Traditional Name:(2S)-2-(3H-isoindol-2-ium-1-ylamino)propionic acid methyl ester
Formula: C12H15N2O2+
MolecularWeight: 219.2597
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=[NH+]CC2=CC=CC=C21


Isomeric SMILES

C[C@@H](C(=O)OC)NC1=[NH+]CC2=CC=CC=C21


InChI

InChI=1S/C12H14N2O2/c1-8(12(15)16-2)14-11-10-6-4-3-5-9(10)7-13-11/h3-6,8H,7H2,1-2H3,(H,13,14)/p+1/t8-/m0/s1


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