[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-(3-methylphenoxy)ethyl]azanium

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-(3-methylphenoxy)ethyl]azanium Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]-methyl-[2-(3-methylphenoxy)ethyl]ammonium CAS Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methyl-[2-(3-methylphenoxy)ethyl]ammonium IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methyl-[2-(3-methylphenoxy)ethyl]azanium Traditional Name: [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]-methyl-[2-(3-methylphenoxy)ethyl]ammonium Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+](C)CC(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+](C)CC(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C19H27N3O2/c1-16-7-6-8-17(13-16)24-12-11-22(2)14-18(23)21-19(15-20)9-4-3-5-10-19/h6-8,13H,3-5,9-12,14H2,1-2H3,(H,21,23)/p+1