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

Systemtic Name: [4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [4-[2-(cyclohexylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-(2-pyridylmethyl)ammonium CAS Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [4-[2-(cyclohexylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-(2-pyridylmethyl)ammonium Formula: C22H30N3O3+ MolecularWeight: 384.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=N2)OCC(=O)NC3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=N2)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C22H29N3O3/c1-27-21-13-17(14-23-15-19-9-5-6-12-24-19)10-11-20(21)28-16-22(26)25-18-7-3-2-4-8-18/h5-6,9-13,18,23H,2-4,7-8,14-16H2,1H3,(H,25,26)/p+1