3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methylazaniumyl]propyl-dibutyl-azanium

Systemtic Name: 3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methylammonio]propyl-dibutyl-ammonium CAS Name: 3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylammonio]propyl-dibutylammonium IUPAC Name: 3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylazaniumyl]propyl-dibutylazanium Traditional Name: 3-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]ammonio]propyl-dibutyl-ammonium Formula: C21H39N3O3+2 MolecularWeight: 381.55266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O3/c1-4-6-12-24(13-7-5-2)14-8-11-23-16-18-9-10-19(20(15-18)26-3)27-17-21(22)25/h9-10,15,23H,4-8,11-14,16-17H2,1-3H3,(H2,22,25)/p+2