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

Systemtic Name: [4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-[2-(cyclohexylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: benzyl-[4-[2-(cyclohexylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]ammonium Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OCC(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C24H32N2O3/c1-2-28-23-15-20(17-25-16-19-9-5-3-6-10-19)13-14-22(23)29-18-24(27)26-21-11-7-4-8-12-21/h3,5-6,9-10,13-15,21,25H,2,4,7-8,11-12,16-18H2,1H3,(H,26,27)/p+1