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

Systemtic Name: [4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [4-[2-(cyclohexylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(2-pyridylmethyl)ammonium CAS Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [4-[2-(cyclohexylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(2-pyridylmethyl)ammonium Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=N2)OCC(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=N2)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C23H31N3O3/c1-2-28-22-14-18(15-24-16-20-10-6-7-13-25-20)11-12-21(22)29-17-23(27)26-19-8-4-3-5-9-19/h6-7,10-14,19,24H,2-5,8-9,15-17H2,1H3,(H,26,27)/p+1