dibutyl-[3-[(4-prop-2-enoxyphenyl)methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[(4-prop-2-enoxyphenyl)methylazaniumyl]propyl]azanium Openeye Name: 3-[(4-allyloxyphenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: dibutyl-[3-[(4-prop-2-enoxyphenyl)methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[(4-prop-2-enoxyphenyl)methylazaniumyl]propyl]azanium Traditional Name: 3-[(4-allyloxybenzyl)ammonio]propyl-dibutyl-ammonium Formula: C21H38N2O+2 MolecularWeight: 334.53922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O/c1-4-7-15-23(16-8-5-2)17-9-14-22-19-20-10-12-21(13-11-20)24-18-6-3/h6,10-13,22H,3-5,7-9,14-19H2,1-2H3/p+2