N-(2-hydroxyethyl)-N-(phenylmethyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-N-(phenylmethyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-(2-hydroxyethyl)-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyethyl)-N-(phenylmethyl)-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-(2-hydroxyethyl)-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N(CCO)CC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N(CCO)CC2=CC=CC=C2)CC3=CN=CC=C3

InChI

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