bis[3-(dimethylazaniumyl)propyl]-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: bis[3-(dimethylazaniumyl)propyl]-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (3-benzyloxy-4-methoxy-phenyl)methyl-bis[3-(dimethylammonio)propyl]ammonium CAS Name: bis[3-(dimethylammonio)propyl]-[(4-methoxy-3-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: bis[3-(dimethylazaniumyl)propyl]-[(4-methoxy-3-phenylmethoxyphenyl)methyl]azanium Traditional Name: (3-benzoxy-4-methoxy-benzyl)-bis[3-(dimethylammonio)propyl]ammonium Formula: C25H42N3O2+3 MolecularWeight: 416.61988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1=CC(=C(C=C1)OC)OCC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCC[NH+](CCC[NH+](C)C)CC1=CC(=C(C=C1)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C25H39N3O2/c1-26(2)15-9-17-28(18-10-16-27(3)4)20-23-13-14-24(29-5)25(19-23)30-21-22-11-7-6-8-12-22/h6-8,11-14,19H,9-10,15-18,20-21H2,1-5H3/p+3