1-[(2S)-2-phenylpropyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-2-phenylpropyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-2-phenylpropyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-phenylpropyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-2-phenylpropyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-2-phenylpropyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c1-20(21-6-3-2-4-7-21)19-29-16-13-22(14-17-29)26(30)28-23-9-11-24(12-10-23)31-25-8-5-15-27-18-25/h2-12,15,18,20,22H,13-14,16-17,19H2,1H3,(H,28,30)/p+1/t20-/m1/s1