3-(phenylmethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-ium-2-amine bromide

Systemtic Name: 3-(phenylmethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-ium-2-amine bromide Openeye Name: 3-benzyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-ium-2-amine bromide CAS Name: 3-(phenylmethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-ium-2-amine bromide IUPAC Name: 3-benzyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-ium-2-amine bromide Traditional Name: (3-benzyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-ium-2-yl)amine bromide Formula: C14H19BrN2S MolecularWeight: 327.28306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)[N+](=C(S2)N)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CCC2C(C1)[N+](=C(S2)N)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C14H18N2S.BrH/c15-14-16(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14;/h1-3,6-7,12-13,15H,4-5,8-10H2;1H