N-(4-bromophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine bromide

Systemtic Name: N-(4-bromophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine bromide Openeye Name: N-(4-bromophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine bromide CAS Name: N-(4-bromophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine bromide IUPAC Name: N-(4-bromophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine bromide Traditional Name: (4-bromophenyl)-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine bromide Formula: C12H16Br2N2 MolecularWeight: 348.07684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NC2=CC=C(C=C2)Br.[Br-]

Isomeric SMILES

C1CCC(=[NH+]CC1)NC2=CC=C(C=C2)Br.[Br-]

InChI

InChI=1S/C12H15BrN2.BrH/c13-10-5-7-11(8-6-10)15-12-4-2-1-3-9-14-12;/h5-8H,1-4,9H2,(H,14,15);1H