N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-4-azanyl-3-bromanyl-2-methoxy-5-tritio-benzamide

Systemtic Name: N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-4-azanyl-3-bromanyl-2-methoxy-5-tritio-benzamide Openeye Name: 4-amino-N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-3-bromo-2-methoxy-5-tritio-benzamide CAS Name: 4-amino-N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-3-bromo-2-methoxy-5-tritiobenzamide IUPAC Name: 4-amino-N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-3-bromo-2-methoxy-5-tritiobenzamide Traditional Name: 4-amino-N-[(4S,5R)-1-azabicyclo[3.3.1]nonan-4-yl]-3-bromo-2-methoxy-5-tritio-benzamide Formula: C16H22BrN3O2 MolecularWeight: 370.276889

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1Br)N)C(=O)NC2CCN3CCCC2C3

Isomeric SMILES

[3H]C1=CC(=C(C(=C1N)Br)OC)C(=O)N[C@H]2CCN3CCC[C@@H]2C3

InChI

InChI=1S/C16H22BrN3O2/c1-22-15-11(4-5-12(18)14(15)17)16(21)19-13-6-8-20-7-2-3-10(13)9-20/h4-5,10,13H,2-3,6-9,18H2,1H3,(H,19,21)/t10-,13+/m1/s1/i5T