(2S)-2-(2-methylpropyl)azepan-1-ium

Systemtic Name: (2S)-2-(2-methylpropyl)azepan-1-ium Openeye Name: (2S)-2-isobutylazepan-1-ium CAS Name: (2S)-2-(2-methylpropyl)azepan-1-ium IUPAC Name: (2S)-2-(2-methylpropyl)azepan-1-ium Traditional Name: (2S)-2-isobutylazepan-1-ium Formula: C10H22N+ MolecularWeight: 156.28838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CCCCC[NH2+]1

Isomeric SMILES

CC(C)C[C@@H]1CCCCC[NH2+]1

InChI

InChI=1S/C10H21N/c1-9(2)8-10-6-4-3-5-7-11-10/h9-11H,3-8H2,1-2H3/p+1/t10-/m0/s1