2-hexan-3-yl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride

Systemtic Name: 2-hexan-3-yl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride Openeye Name: 2-(1-ethylbutyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride CAS Name: 2-hexan-3-yl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride IUPAC Name: 2-hexan-3-yl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride Traditional Name: [2-(1-ethylbutyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl]amine chloride Formula: C12H25ClN2 MolecularWeight: 232.7933

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C1CCCCC(=[NH+]1)N.[Cl-]

Isomeric SMILES

CCCC(CC)C1CCCCC(=[NH+]1)N.[Cl-]

InChI

InChI=1S/C12H24N2.ClH/c1-3-7-10(4-2)11-8-5-6-9-12(13)14-11;/h10-11H,3-9H2,1-2H3,(H2,13,14);1H