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

Systemtic Name: 3-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C21H39N3O3+2 MolecularWeight: 381.55266

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O3/c1-7-24(8-2)13-9-12-22-15-17-10-11-18(19(14-17)26-6)27-16-20(25)23-21(3,4)5/h10-11,14,22H,7-9,12-13,15-16H2,1-6H3,(H,23,25)/p+2