dibutyl-[3-[[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[4-(2-hydroxyethoxy)-3-methoxy-phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[4-(2-hydroxyethoxy)-3-methoxy-benzyl]ammonio]propyl]ammonium Formula: C21H40N2O3+2 MolecularWeight: 368.5539

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC(=C(C=C1)OCCO)OC

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC(=C(C=C1)OCCO)OC

InChI

InChI=1S/C21H38N2O3/c1-4-6-12-23(13-7-5-2)14-8-11-22-18-19-9-10-20(26-16-15-24)21(17-19)25-3/h9-10,17,22,24H,4-8,11-16,18H2,1-3H3/p+2