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

Systemtic Name: (3S)-1-(pyridin-3-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(3-pyridylmethyl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(3-pyridinylmethyl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(pyridin-3-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-pyridylmethyl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CC=C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CC=C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C23H24N4O2/c28-23(19-7-5-13-27(17-19)16-18-6-3-11-24-14-18)26-21-9-1-2-10-22(21)29-20-8-4-12-25-15-20/h1-4,6,8-12,14-15,19H,5,7,13,16-17H2,(H,26,28)/p+1/t19-/m0/s1