(3-chloranyl-4,5-diethoxy-phenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium

Systemtic Name: (3-chloranyl-4,5-diethoxy-phenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium Openeye Name: (2-benzyloxyphenyl)methyl-[(3-chloro-4,5-diethoxy-phenyl)methyl]ammonium CAS Name: (3-chloro-4,5-diethoxyphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: (3-chloro-4,5-diethoxyphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium Traditional Name: (2-benzoxybenzyl)-(3-chloro-4,5-diethoxy-benzyl)ammonium Formula: C25H29ClNO3+ MolecularWeight: 426.95566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2OCC3=CC=CC=C3)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2OCC3=CC=CC=C3)Cl)OCC

InChI

InChI=1S/C25H28ClNO3/c1-3-28-24-15-20(14-22(26)25(24)29-4-2)16-27-17-21-12-8-9-13-23(21)30-18-19-10-6-5-7-11-19/h5-15,27H,3-4,16-18H2,1-2H3/p+1