4-bromanylbenzoic acid; (5S)-8-pyridin-3-yl-4,8-diazaspiro[4.4]nonane

Systemtic Name: 4-bromanylbenzoic acid; (5S)-8-pyridin-3-yl-4,8-diazaspiro[4.4]nonane Openeye Name: 4-bromobenzoic acid; (5S)-8-(3-pyridyl)-4,8-diazaspiro[4.4]nonane CAS Name: 4-bromobenzoic acid; (5S)-8-(3-pyridinyl)-4,8-diazaspiro[4.4]nonane IUPAC Name: 4-bromobenzoic acid; (5S)-8-pyridin-3-yl-4,8-diazaspiro[4.4]nonane Traditional Name: 4-bromobenzoic acid; (5S)-8-(3-pyridyl)-4,8-diazaspiro[4.4]nonane Formula: C19H22BrN3O2 MolecularWeight: 404.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCN(C2)C3=CN=CC=C3)NC1.C1=CC(=CC=C1C(=O)O)Br

Isomeric SMILES

C1C[C@@]2(CCN(C2)C3=CN=CC=C3)NC1.C1=CC(=CC=C1C(=O)O)Br

InChI

InChI=1S/C12H17N3.C7H5BrO2/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12;8-6-3-1-5(2-4-6)7(9)10/h1,3,6,9,14H,2,4-5,7-8,10H2;1-4H,(H,9,10)/t12-;/m0./s1