4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-ol CAS Name: 4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-1-[(1-methyl-2-imidazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-ol Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC(=CC=C4)OC)O

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C21H26N4O3/c1-24-11-8-22-20(24)15-25-9-6-21(26,7-10-25)14-18-13-19(23-28-18)16-4-3-5-17(12-16)27-2/h3-5,8,11-13,26H,6-7,9-10,14-15H2,1-2H3/p+1