[4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [4-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [4-[2-(cyclohexylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [4-[2-(cyclohexylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C23H39N3O4+2 MolecularWeight: 421.57346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)OCC(=O)NC3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)OCC(=O)NC3CCCCC3

InChI

InChI=1S/C23H37N3O4/c1-28-22-16-19(17-24-10-5-11-26-12-14-29-15-13-26)8-9-21(22)30-18-23(27)25-20-6-3-2-4-7-20/h8-9,16,20,24H,2-7,10-15,17-18H2,1H3,(H,25,27)/p+2