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

Systemtic Name: 3-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C19H35N3O3+2 MolecularWeight: 353.4995

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CCC[NH+](C)C)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CCC[NH+](C)C)OC

InChI

InChI=1S/C19H33N3O3/c1-19(2,3)21-18(23)14-25-16-9-8-15(12-17(16)24-6)13-20-10-7-11-22(4)5/h8-9,12,20H,7,10-11,13-14H2,1-6H3,(H,21,23)/p+2