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

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-(3-oxidanylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(3-hydroxypropyl)-1-[[3-(4-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(3-hydroxypropyl)-1-[[3-(4-methoxyphenyl)-5-isoxazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-hydroxypropyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(3-hydroxypropyl)-1-[[3-(4-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCC(CC3)C(=O)NCCCO

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCC(CC3)C(=O)NCCCO

InChI

InChI=1S/C20H27N3O4/c1-26-17-5-3-15(4-6-17)19-13-18(27-22-19)14-23-10-7-16(8-11-23)20(25)21-9-2-12-24/h3-6,13,16,24H,2,7-12,14H2,1H3,(H,21,25)/p+1