N-(2-hydroxyethyl)-N-(phenylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-N-(phenylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-(2-hydroxyethyl)-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyethyl)-N-(phenylmethyl)-1-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-(2-hydroxyethyl)-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N(CCO)CC2=CC=CC=C2)CC3=CC=CC=N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N(CCO)CC2=CC=CC=C2)CC3=CC=CC=N3

InChI

InChI=1S/C21H27N3O2/c25-15-14-24(16-18-6-2-1-3-7-18)21(26)19-9-12-23(13-10-19)17-20-8-4-5-11-22-20/h1-8,11,19,25H,9-10,12-17H2/p+1