[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ylpropyl)azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ylpropyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-(3-morpholinopropyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(3-morpholin-4-ylpropyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-(3-morpholinopropyl)ammonium Formula: C21H36N3O4+ MolecularWeight: 394.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CCCN2CCOCC2)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CCCN2CCOCC2)OC

InChI

InChI=1S/C21H35N3O4/c1-21(2,3)23-20(25)16-28-18-7-6-17(14-19(18)26-4)15-22-8-5-9-24-10-12-27-13-11-24/h6-7,14,22H,5,8-13,15-16H2,1-4H3,(H,23,25)/p+1