1-(2,2-dimethylpropyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(2,2-dimethylpropyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,2-dimethylpropyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2,2-dimethylpropyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,2-dimethylpropyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-neopentyl-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-22(2,3)16-25-13-10-17(11-14-25)21(26)24-18-6-8-19(9-7-18)27-20-5-4-12-23-15-20/h4-9,12,15,17H,10-11,13-14,16H2,1-3H3,(H,24,26)/p+1