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

Systemtic Name: N-(phenylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine bromide Openeye Name: N-benzyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine bromide CAS Name: N-(phenylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine bromide IUPAC Name: N-benzyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine bromide Traditional Name: benzyl(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine bromide Formula: C13H19BrN2 MolecularWeight: 283.20736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NCC2=CC=CC=C2.[Br-]

Isomeric SMILES

C1CCC(=[NH+]CC1)NCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C13H18N2.BrH/c1-3-7-12(8-4-1)11-15-13-9-5-2-6-10-14-13;/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,15);1H