(4-ethoxy-3-methoxy-phenyl)methyl-[3-(2-methylpropoxy)propyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[3-(2-methylpropoxy)propyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-(3-isobutoxypropyl)ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[3-(2-methylpropoxy)propyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[3-(2-methylpropoxy)propyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-(3-isobutoxypropyl)ammonium Formula: C17H30NO3+ MolecularWeight: 296.425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CCCOCC(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CCCOCC(C)C)OC

InChI

InChI=1S/C17H29NO3/c1-5-21-16-8-7-15(11-17(16)19-4)12-18-9-6-10-20-13-14(2)3/h7-8,11,14,18H,5-6,9-10,12-13H2,1-4H3/p+1