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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(3-isopropoxypropyl)ammonium Formula: C21H37N2O4+ MolecularWeight: 381.52948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCCOC(C)C)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCCOC(C)C)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C21H36N2O4/c1-7-25-19-13-17(14-22-11-8-12-26-16(2)3)9-10-18(19)27-15-20(24)23-21(4,5)6/h9-10,13,16,22H,7-8,11-12,14-15H2,1-6H3,(H,23,24)/p+1