cyclopropyl-[(4-methoxyphenyl)methyl]-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cyclopropyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-p-anisyl-ammonium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH+](CC2=CC=C(C=C2)OC)C3CC3)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH+](CC2=CC=C(C=C2)OC)C3CC3)O

InChI

InChI=1S/C21H27NO3/c1-16-4-3-5-21(12-16)25-15-19(23)14-22(18-8-9-18)13-17-6-10-20(24-2)11-7-17/h3-7,10-12,18-19,23H,8-9,13-15H2,1-2H3/p+1/t19-/m0/s1