[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [3-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C21H30NO3+ MolecularWeight: 344.4678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3/c1-4-19(14-23)22-13-18-10-11-20(21(12-18)24-5-2)25-15-17-8-6-16(3)7-9-17/h6-12,19,22-23H,4-5,13-15H2,1-3H3/p+1/t19-/m1/s1