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

Systemtic Name: [(2S)-butan-2-yl]-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: [3-methoxy-4-(o-tolylmethoxy)phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: [3-methoxy-4-(2-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=CC(=C(C=C1)OCC2=CC=CC=C2C)OC

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2C)OC

InChI

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