N-(2-hydroxyphenyl)-1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-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-butan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]piperidin-1-ium-4-carboxamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-3-16(20(27)22-18-12-13(2)28-23-18)24-10-8-14(9-11-24)19(26)21-15-6-4-5-7-17(15)25/h4-7,12,14,16,25H,3,8-11H2,1-2H3,(H,21,26)(H,22,23,27)/p+1/t16-/m0/s1