(3R)-7-bromanyl-3-(phenylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium

Systemtic Name: (3R)-7-bromanyl-3-(phenylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium Openeye Name: (3R)-3-benzyl-7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium CAS Name: (3R)-7-bromo-3-(phenylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium IUPAC Name: (3R)-3-benzyl-7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium Traditional Name: (3R)-3-benzyl-7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium Formula: C16H18BrN2+ MolecularWeight: 318.23152

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=C(N1)C=CC(=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1[C@H]([NH2+]CC2=C(N1)C=CC(=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C16H17BrN2/c17-14-6-7-16-13(9-14)10-18-15(11-19-16)8-12-4-2-1-3-5-12/h1-7,9,15,18-19H,8,10-11H2/p+1/t15-/m1/s1