[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(2-diethylaminoethyl)azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(2-diethylaminoethyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(2-diethylaminoethyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-diethylaminoethyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-diethylaminoethyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(2-diethylaminoethyl)ammonium Formula: C21H38N3O3+ MolecularWeight: 380.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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