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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(3-oxidanylpropyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-(3-hydroxypropyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(3-hydroxypropyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(3-hydroxypropyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-(3-hydroxypropyl)ammonium Formula: C17H29N2O4+ MolecularWeight: 325.42316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O4/c1-17(2,3)19-16(21)12-23-14-7-6-13(10-15(14)22-4)11-18-8-5-9-20/h6-7,10,18,20H,5,8-9,11-12H2,1-4H3,(H,19,21)/p+1