ethyl-[(2-methylpyrimidin-5-yl)methyl]-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium

Systemtic Name: ethyl-[(2-methylpyrimidin-5-yl)methyl]-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium Openeye Name: ethyl-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[(2-methylpyrimidin-5-yl)methyl]ammonium CAS Name: ethyl-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-[(2-methyl-5-pyrimidinyl)methyl]ammonium IUPAC Name: ethyl-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-[(2-methylpyrimidin-5-yl)methyl]azanium Traditional Name: ethyl-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[(2-methylpyrimidin-5-yl)methyl]ammonium Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CN=C(N=C1)C)CC(COC2=CC=CC=C2C(C)C)O

Isomeric SMILES

CC[NH+](CC1=CN=C(N=C1)C)C[C@@H](COC2=CC=CC=C2C(C)C)O

InChI

InChI=1S/C20H29N3O2/c1-5-23(12-17-10-21-16(4)22-11-17)13-18(24)14-25-20-9-7-6-8-19(20)15(2)3/h6-11,15,18,24H,5,12-14H2,1-4H3/p+1/t18-/m0/s1