(3-ethoxy-4-phenylmethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: (3-ethoxy-4-phenylmethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: (4-benzyloxy-3-ethoxy-phenyl)methyl-[3-(methylammonio)propyl]ammonium CAS Name: (3-ethoxy-4-phenylmethoxyphenyl)methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: (3-ethoxy-4-phenylmethoxyphenyl)methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-[3-(methylammonio)propyl]ammonium Formula: C20H30N2O2+2 MolecularWeight: 330.4644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH2+]C)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH2+]C)OCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O2/c1-3-23-20-14-18(15-22-13-7-12-21-2)10-11-19(20)24-16-17-8-5-4-6-9-17/h4-6,8-11,14,21-22H,3,7,12-13,15-16H2,1-2H3/p+2