2-[(2S)-butan-2-yl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[(2S)-butan-2-yl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[(1S)-1-methylpropyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[(2S)-butan-2-yl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[(2S)-butan-2-yl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[(1S)-1-methylpropyl]-3H-isoindol-2-ium-1-yl]amine Formula: C12H17N2+ MolecularWeight: 189.27678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+]1=C(C2=CC=CC=C2C1)N

Isomeric SMILES

CC[C@H](C)[N+]1=C(C2=CC=CC=C2C1)N

InChI

InChI=1S/C12H16N2/c1-3-9(2)14-8-10-6-4-5-7-11(10)12(14)13/h4-7,9,13H,3,8H2,1-2H3/p+1/t9-/m0/s1