dicyclohexyl-[(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: dicyclohexyl-[(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: dicyclohexyl-[(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium CAS Name: dicyclohexyl-[(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: dicyclohexyl-[(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium Traditional Name: dicyclohexyl-[(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium Formula: C25H42NO2+ MolecularWeight: 388.60648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH+](C2CCCCC2)C3CCCCC3)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH+](C2CCCCC2)C3CCCCC3)O)C(C)C

InChI

InChI=1S/C25H41NO2/c1-19(2)25-15-14-24(16-20(25)3)28-18-23(27)17-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h14-16,19,21-23,27H,4-13,17-18H2,1-3H3/p+1/t23-/m0/s1