tert-butyl-[(2R)-3-[4-(cyclohexylcarbamoylamino)phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[(2R)-3-[4-(cyclohexylcarbamoylamino)phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[(2R)-3-[4-(cyclohexylcarbamoylamino)phenoxy]-2-hydroxy-propyl]ammonium CAS Name: tert-butyl-[(2R)-3-[4-[[(cyclohexylamino)-oxomethyl]amino]phenoxy]-2-hydroxypropyl]ammonium IUPAC Name: tert-butyl-[(2R)-3-[4-(cyclohexylcarbamoylamino)phenoxy]-2-hydroxypropyl]azanium Traditional Name: tert-butyl-[(2R)-3-[4-(cyclohexylcarbamoylamino)phenoxy]-2-hydroxy-propyl]ammonium Formula: C20H34N3O3+ MolecularWeight: 364.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O

Isomeric SMILES

CC(C)(C)[NH2+]C[C@H](COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O

InChI

InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/p+1/t17-/m1/s1