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

Systemtic Name: (2S)-1-(3-methylbutyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-isopentyl-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-(3-methylbutyl)-N-[2-(3-pyridinyloxy)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-(3-methylbutyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-isoamyl-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)CC[NH+]1CCCC1C(=O)NC2=CC=CC=C2OC3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-16(2)11-14-24-13-6-9-19(24)21(25)23-18-8-3-4-10-20(18)26-17-7-5-12-22-15-17/h3-5,7-8,10,12,15-16,19H,6,9,11,13-14H2,1-2H3,(H,23,25)/p+1/t19-/m0/s1