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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]-methyl-[2-(3-methylphenoxy)ethyl]azanium Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl]-methyl-[2-(3-methylphenoxy)ethyl]ammonium CAS Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methyl-[2-(3-methylphenoxy)ethyl]ammonium IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methyl-[2-(3-methylphenoxy)ethyl]azanium Traditional Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl]-methyl-[2-(3-methylphenoxy)ethyl]ammonium Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+](C)CC(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+](C)CC(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C20H29N3O2/c1-17-8-7-9-18(14-17)25-13-12-22(2)15-19(24)23(3)20(16-21)10-5-4-6-11-20/h7-9,14H,4-6,10-13,15H2,1-3H3/p+1