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

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-(2-methylphenoxy)ethyl]azanium Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]-methyl-[2-(2-methylphenoxy)ethyl]ammonium CAS Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methyl-[2-(2-methylphenoxy)ethyl]ammonium IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methyl-[2-(2-methylphenoxy)ethyl]azanium Traditional Name: [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]-methyl-[2-(2-methylphenoxy)ethyl]ammonium Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC[NH+](C)CC(=O)NC2(CCCCCC2)C#N

Isomeric SMILES

CC1=CC=CC=C1OCC[NH+](C)CC(=O)NC2(CCCCCC2)C#N

InChI

InChI=1S/C20H29N3O2/c1-17-9-5-6-10-18(17)25-14-13-23(2)15-19(24)22-20(16-21)11-7-3-4-8-12-20/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3,(H,22,24)/p+1