5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(4-pyridylmethyl)isoxazole-3-carboxamide CAS Name: 5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-N-(pyridin-4-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(4-pyridylmethyl)isoxazole-3-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C23H26N4O2/c28-23(25-16-20-6-10-24-11-7-20)22-15-21(29-26-22)17-27-12-8-19(9-13-27)14-18-4-2-1-3-5-18/h1-7,10-11,15,19H,8-9,12-14,16-17H2,(H,25,28)/p+1