(2S)-1-(2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-(2,2-dimethylpropyl)-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-(2,2-dimethylpropyl)-N-[2-(3-pyridinyloxy)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-(2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-neopentyl-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCCC1C(=O)NC2=CC=CC=C2OC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC[C@H]1C(=O)NC2=CC=CC=C2OC3=CN=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-21(2,3)15-24-13-7-10-18(24)20(25)23-17-9-4-5-11-19(17)26-16-8-6-12-22-14-16/h4-6,8-9,11-12,14,18H,7,10,13,15H2,1-3H3,(H,23,25)/p+1/t18-/m0/s1