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

Systemtic Name: 2-[(2S)-pentan-2-yl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[(1S)-1-methylbutyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[(2S)-pentan-2-yl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[(2S)-pentan-2-yl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[(1S)-1-methylbutyl]-3H-isoindol-2-ium-1-yl]amine Formula: C13H19N2+ MolecularWeight: 203.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2/c1-3-6-10(2)15-9-11-7-4-5-8-12(11)13(15)14/h4-5,7-8,10,14H,3,6,9H2,1-2H3/p+1/t10-/m0/s1