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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(4-methylcyclohexyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(4-methylcyclohexyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(4-methylcyclohexyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(4-methylcyclohexyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(4-methylcyclohexyl)ammonium Formula: C22H37N2O3+ MolecularWeight: 377.54078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C2CCC(CC2)C)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C2CCC(CC2)C)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H36N2O3/c1-6-26-20-13-17(14-23-18-10-7-16(2)8-11-18)9-12-19(20)27-15-21(25)24-22(3,4)5/h9,12-13,16,18,23H,6-8,10-11,14-15H2,1-5H3,(H,24,25)/p+1