[(2S)-butan-2-yl]-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium Openeye Name: (3-methoxy-4-phenethyloxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3-methoxy-4-phenethyloxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3-methoxy-4-phenethyloxyphenyl)methyl]azanium Traditional Name: (3-methoxy-4-phenethyloxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC(=C(C=C1)OCCC2=CC=CC=C2)OC

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=C(C=C1)OCCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H27NO2/c1-4-16(2)21-15-18-10-11-19(20(14-18)22-3)23-13-12-17-8-6-5-7-9-17/h5-11,14,16,21H,4,12-13,15H2,1-3H3/p+1/t16-/m0/s1