cyclohexyl-[(2-hydroxyphenyl)methyl]-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-[(2-hydroxyphenyl)methyl]-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(2-hydroxyphenyl)methyl]ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(2-hydroxyphenyl)methyl]ammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(2-hydroxyphenyl)methyl]azanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-salicyl-ammonium Formula: C23H32NO3+ MolecularWeight: 370.50508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH+](CC2=CC=CC=C2O)C3CCCCC3)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](C[NH+](CC2=CC=CC=C2O)C3CCCCC3)O

InChI

InChI=1S/C23H31NO3/c1-18-9-5-8-14-23(18)27-17-21(25)16-24(20-11-3-2-4-12-20)15-19-10-6-7-13-22(19)26/h5-10,13-14,20-21,25-26H,2-4,11-12,15-17H2,1H3/p+1/t21-/m0/s1