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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=C(C(=CC=C1)OC)OCC2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=C(C(=CC=C1)OC)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C20H27NO2/c1-5-16(3)21-13-18-7-6-8-19(22-4)20(18)23-14-17-11-9-15(2)10-12-17/h6-12,16,21H,5,13-14H2,1-4H3/p+1/t16-/m0/s1