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

Systemtic Name: [(2R)-butan-2-yl]-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: [3-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-[(1R)-1-methylpropyl]ammonium CAS Name: [(2R)-butan-2-yl]-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: [(2R)-butan-2-yl]-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: [3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-[(1R)-1-methylpropyl]ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-5-17(4)22-14-19-11-12-20(21(13-19)23-6-2)24-15-18-9-7-16(3)8-10-18/h7-13,17,22H,5-6,14-15H2,1-4H3/p+1/t17-/m1/s1