3-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[4-[2-(tert-butylamino)-2-keto-ethoxy]benzyl]ammonio]propyl-diethyl-ammonium Formula: C20H37N3O2+2 MolecularWeight: 351.52668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O2/c1-6-23(7-2)14-8-13-21-15-17-9-11-18(12-10-17)25-16-19(24)22-20(3,4)5/h9-12,21H,6-8,13-16H2,1-5H3,(H,22,24)/p+2