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

Systemtic Name: 2-phenyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride Openeye Name: 2-phenyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride CAS Name: 2-phenyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride IUPAC Name: 2-phenyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride Traditional Name: (2-phenyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine chloride Formula: C12H17ClN2 MolecularWeight: 224.72978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]C(C1)C2=CC=CC=C2)N.[Cl-]

Isomeric SMILES

C1CCC(=[NH+]C(C1)C2=CC=CC=C2)N.[Cl-]

InChI

InChI=1S/C12H16N2.ClH/c13-12-9-5-4-8-11(14-12)10-6-2-1-3-7-10;/h1-3,6-7,11H,4-5,8-9H2,(H2,13,14);1H