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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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