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

Systemtic Name: N-(oxan-4-ylmethyl)-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(tetrahydropyran-4-ylmethyl)isoxazole-3-carboxamide CAS Name: N-(4-oxanylmethyl)-5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(tetrahydropyran-4-ylmethyl)isoxazole-3-carboxamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4CCOCC4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4CCOCC4

InChI

InChI=1S/C23H31N3O3/c27-23(24-16-20-8-12-28-13-9-20)22-15-21(29-25-22)17-26-10-6-19(7-11-26)14-18-4-2-1-3-5-18/h1-5,15,19-20H,6-14,16-17H2,(H,24,27)/p+1