N-(2-hydroxyphenyl)-1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-hexan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-hexan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]pentyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxohexan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]pentyl]piperidin-1-ium-4-carboxamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=NOC(=C1)C)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

CCCC[C@@H](C(=O)NC1=NOC(=C1)C)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C22H30N4O4/c1-3-4-8-18(22(29)24-20-14-15(2)30-25-20)26-12-10-16(11-13-26)21(28)23-17-7-5-6-9-19(17)27/h5-7,9,14,16,18,27H,3-4,8,10-13H2,1-2H3,(H,23,28)(H,24,25,29)/p+1/t18-/m0/s1