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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-cycloheptyl-azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-cycloheptyl-ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-cycloheptylammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-cycloheptylazanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-cycloheptyl-ammonium Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]C2CCCCCC2)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]C2CCCCCC2)OC

InChI

InChI=1S/C21H34N2O3/c1-21(2,3)23-20(24)15-26-18-12-11-16(13-19(18)25-4)14-22-17-9-7-5-6-8-10-17/h11-13,17,22H,5-10,14-15H2,1-4H3,(H,23,24)/p+1