2-(dimethylazaniumyl)ethyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-(phenylmethyl)azanium

Systemtic Name: 2-(dimethylazaniumyl)ethyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(4-benzyloxy-3-methoxy-phenyl)methyl]-[2-(dimethylammonio)ethyl]ammonium CAS Name: 2-(dimethylammonio)ethyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(dimethylazaniumyl)ethyl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-benzyl-[2-(dimethylammonio)ethyl]ammonium Formula: C26H34N2O2+2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+](CC1=CC=CC=C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[NH+](C)CC[NH+](CC1=CC=CC=C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H32N2O2/c1-27(2)16-17-28(19-22-10-6-4-7-11-22)20-24-14-15-25(26(18-24)29-3)30-21-23-12-8-5-9-13-23/h4-15,18H,16-17,19-21H2,1-3H3/p+2