[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-m-anisyl-methyl-ammonium Formula: C17H24N3O2+ MolecularWeight: 302.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC(=CC=C2)OC

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H23N3O2/c1-17(12-18,14-7-8-14)19-16(21)11-20(2)10-13-5-4-6-15(9-13)22-3/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,19,21)/p+1/t17-/m0/s1