3-[(2S,4S)-5,5-dimethyl-4-pyridin-4-yl-pyrrolidin-2-yl]pyridine; ethanedioic acid

Systemtic Name: 3-[(2S,4S)-5,5-dimethyl-4-pyridin-4-yl-pyrrolidin-2-yl]pyridine; ethanedioic acid Openeye Name: 3-[(2S,4S)-5,5-dimethyl-4-(4-pyridyl)pyrrolidin-2-yl]pyridine; oxalic acid CAS Name: 3-[(2S,4S)-5,5-dimethyl-4-pyridin-4-yl-2-pyrrolidinyl]pyridine; oxalic acid IUPAC Name: 3-[(2S,4S)-5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl]pyridine; oxalic acid Traditional Name: 3-[(2S,4S)-5,5-dimethyl-4-(4-pyridyl)pyrrolidin-2-yl]pyridine; oxalic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(N1)C2=CN=CC=C2)C3=CC=NC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1([C@@H](C[C@H](N1)C2=CN=CC=C2)C3=CC=NC=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19N3.C2H2O4/c1-16(2)14(12-5-8-17-9-6-12)10-15(19-16)13-4-3-7-18-11-13;3-1(4)2(5)6/h3-9,11,14-15,19H,10H2,1-2H3;(H,3,4)(H,5,6)/t14-,15-;/m0./s1