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

Systemtic Name: N-methyl-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-methyl-N-(3-pyridylmethyl)isoxazole-3-carboxamide CAS Name: N-methyl-5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-methyl-N-(3-pyridylmethyl)isoxazole-3-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C(=O)C2=NOC(=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN=CC=C1)C(=O)C2=NOC(=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-27(17-21-8-5-11-25-16-21)24(29)23-15-22(30-26-23)18-28-12-9-20(10-13-28)14-19-6-3-2-4-7-19/h2-8,11,15-16,20H,9-10,12-14,17-18H2,1H3/p+1