(4-oxidanylcyclohexyl)-[(2S)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]azanium

Systemtic Name: (4-oxidanylcyclohexyl)-[(2S)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]azanium Openeye Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]ammonium CAS Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]ammonium IUPAC Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]azanium Traditional Name: (4-hydroxycyclohexyl)-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]ammonium Formula: C18H30NO3+ MolecularWeight: 308.4357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(C[NH2+]C2CCC(CC2)O)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC[C@H](C[NH2+]C2CCC(CC2)O)O)C

InChI

InChI=1S/C18H29NO3/c1-12-4-5-13(2)18(14(12)3)22-11-17(21)10-19-15-6-8-16(20)9-7-15/h4-5,15-17,19-21H,6-11H2,1-3H3/p+1/t15?,16?,17-/m0/s1