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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C2CCCCCC2)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C2CCCCCC2)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H36N2O3/c1-5-26-20-14-17(15-23-18-10-8-6-7-9-11-18)12-13-19(20)27-16-21(25)24-22(2,3)4/h12-14,18,23H,5-11,15-16H2,1-4H3,(H,24,25)/p+1