methyl-[[3-[(4-oxidanylcyclohexyl)carbamoyl]-1,2-oxazol-5-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[3-[(4-oxidanylcyclohexyl)carbamoyl]-1,2-oxazol-5-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[3-[(4-hydroxycyclohexyl)carbamoyl]isoxazol-5-yl]methyl]-methyl-ammonium CAS Name: [3-[[(4-hydroxycyclohexyl)amino]-oxomethyl]-5-isoxazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-[(4-hydroxycyclohexyl)carbamoyl]-1,2-oxazol-5-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-[(4-hydroxycyclohexyl)carbamoyl]isoxazol-5-yl]methyl]-methyl-ammonium Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NC3CCC(CC3)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NC3CCC(CC3)O

InChI

InChI=1S/C19H25N3O3/c1-22(12-14-5-3-2-4-6-14)13-17-11-18(21-25-17)19(24)20-15-7-9-16(23)10-8-15/h2-6,11,15-16,23H,7-10,12-13H2,1H3,(H,20,24)/p+1