N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyridin-3-yl-propanamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyridin-3-yl-propanamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(3-pyridyl)propanamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-(3-pyridinyl)propanamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-pyridin-3-ylpropanamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-3-(3-pyridyl)propionamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCC3=CN=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C21H27N3O/c25-21(11-10-18-5-4-12-22-15-18)23-16-19-6-8-20(9-7-19)17-24-13-2-1-3-14-24/h4-9,12,15H,1-3,10-11,13-14,16-17H2,(H,23,25)/p+1