[4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: [4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: [4-[2-(cyclohexylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: [4-[2-(cyclohexylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C21H35N2O4+ MolecularWeight: 379.5136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C(C)(C)CO)OCC(=O)NC2CCCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C(C)(C)CO)OCC(=O)NC2CCCCC2

InChI

InChI=1S/C21H34N2O4/c1-4-26-19-12-16(13-22-21(2,3)15-24)10-11-18(19)27-14-20(25)23-17-8-6-5-7-9-17/h10-12,17,22,24H,4-9,13-15H2,1-3H3,(H,23,25)/p+1