4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-N-pyridin-3-yl-benzamide

Systemtic Name: 4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-N-pyridin-3-yl-benzamide Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(3-pyridyl)benzamide CAS Name: 4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-N-(3-pyridinyl)benzamide IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-pyridin-3-ylbenzamide Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(3-pyridyl)benzamide Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O/c29-25(27-24-7-4-14-26-18-24)23-10-8-22(9-11-23)19-28-15-12-21(13-16-28)17-20-5-2-1-3-6-20/h1-11,14,18,21H,12-13,15-17,19H2,(H,27,29)/p+1