N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: N-isobutyl-N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-5-methyl-N-(2-methylpropyl)-3-isoxazolecarboxamide IUPAC Name: N-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: N-isobutyl-5-methyl-N-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]isoxazole-3-carboxamide Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N(CC2CC[NH+](CC2)CC3=CC=CC=C3OC)CC(C)C

Isomeric SMILES

CC1=CC(=NO1)C(=O)N(CC2CC[NH+](CC2)CC3=CC=CC=C3OC)CC(C)C

InChI

InChI=1S/C23H33N3O3/c1-17(2)14-26(23(27)21-13-18(3)29-24-21)15-19-9-11-25(12-10-19)16-20-7-5-6-8-22(20)28-4/h5-8,13,17,19H,9-12,14-16H2,1-4H3/p+1