(2S)-1-(2-methylpropyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(2-methylpropyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-isobutyl-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-(2-methylpropyl)-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-(2-methylpropyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-isobutyl-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCCCC1C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCCC[C@H]1C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-16(2)15-24-13-4-3-7-20(24)21(25)23-17-8-10-18(11-9-17)26-19-6-5-12-22-14-19/h5-6,8-12,14,16,20H,3-4,7,13,15H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1