(3-methoxy-4-propan-2-yloxy-phenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (3-methoxy-4-propan-2-yloxy-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (4-isopropoxy-3-methoxy-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (4-isopropoxy-3-methoxy-benzyl)-[(1S)-1-methylbutyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC(=C(C=C1)OC(C)C)OC

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC(=C(C=C1)OC(C)C)OC

InChI

InChI=1S/C16H27NO2/c1-6-7-13(4)17-11-14-8-9-15(19-12(2)3)16(10-14)18-5/h8-10,12-13,17H,6-7,11H2,1-5H3/p+1/t13-/m0/s1