[4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-phenethyl-azanium

Systemtic Name: [4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-phenethyl-azanium Openeye Name: [4-[2-(cyclohexylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-phenethyl-ammonium CAS Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-phenethylammonium IUPAC Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-phenethylazanium Traditional Name: [4-[2-(cyclohexylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-phenethyl-ammonium Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CC=C2)OCC(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CC=C2)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C25H34N2O3/c1-2-29-24-17-21(18-26-16-15-20-9-5-3-6-10-20)13-14-23(24)30-19-25(28)27-22-11-7-4-8-12-22/h3,5-6,9-10,13-14,17,22,26H,2,4,7-8,11-12,15-16,18-19H2,1H3,(H,27,28)/p+1