[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl]-methyl-p-anisyl-ammonium Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)[NH+](C)CC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)[NH+](C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H27N3O2/c1-15(18(23)21-19(14-20)11-5-4-6-12-19)22(2)13-16-7-9-17(24-3)10-8-16/h7-10,15H,4-6,11-13H2,1-3H3,(H,21,23)/p+1/t15-/m1/s1