(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-indan-2-yl-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-indan-2-yl-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)NC4=CC=CC=C4OC5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)NC4=CC=CC=C4OC5=CN=CC=C5

InChI

InChI=1S/C26H27N3O2/c30-26(28-24-11-3-4-12-25(24)31-23-10-5-13-27-17-23)21-9-6-14-29(18-21)22-15-19-7-1-2-8-20(19)16-22/h1-5,7-8,10-13,17,21-22H,6,9,14-16,18H2,(H,28,30)/p+1/t21-/m0/s1