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

Systemtic Name: 1-butyl-1-(2-methylpropyl)azepan-1-ium Openeye Name: 1-butyl-1-isobutyl-azepan-1-ium CAS Name: 1-butyl-1-(2-methylpropyl)azepan-1-ium IUPAC Name: 1-butyl-1-(2-methylpropyl)azepan-1-ium Traditional Name: 1-butyl-1-isobutyl-azepan-1-ium Formula: C14H30N+ MolecularWeight: 212.3947

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCCCC1)CC(C)C

Isomeric SMILES

CCCC[N+]1(CCCCCC1)CC(C)C

InChI

InChI=1S/C14H30N/c1-4-5-10-15(13-14(2)3)11-8-6-7-9-12-15/h14H,4-13H2,1-3H3/q+1