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

Systemtic Name: benzoic acid; (5S)-8-pyridin-3-yl-4,8-diazaspiro[4.4]nonane Openeye Name: benzoic acid; (5S)-8-(3-pyridyl)-4,8-diazaspiro[4.4]nonane CAS Name: benzoic acid; (5S)-8-(3-pyridinyl)-4,8-diazaspiro[4.4]nonane IUPAC Name: benzoic acid; (5S)-8-pyridin-3-yl-4,8-diazaspiro[4.4]nonane Traditional Name: benzoic acid; (5S)-8-(3-pyridyl)-4,8-diazaspiro[4.4]nonane Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3.C7H6O2/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12;8-7(9)6-4-2-1-3-5-6/h1,3,6,9,14H,2,4-5,7-8,10H2;1-5H,(H,8,9)/t12-;/m0./s1