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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CN=CC=C2)OCC(=O)NC3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CN=CC=C2)OCC(=O)NC3CCCCC3

InChI

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