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

Systemtic Name: 2-(dimethylazaniumyl)ethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-(dimethylammonio)ethyl]-[(2-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-(dimethylammonio)ethyl-[(2-hydroxy-3-methoxyphenyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(dimethylazaniumyl)ethyl]-[(2-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: benzyl-[2-(dimethylammonio)ethyl]-(2-hydroxy-3-methoxy-benzyl)ammonium Formula: C19H28N2O2+2 MolecularWeight: 316.43782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2/c1-20(2)12-13-21(14-16-8-5-4-6-9-16)15-17-10-7-11-18(23-3)19(17)22/h4-11,22H,12-15H2,1-3H3/p+2