[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylammonium IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C18H26N3O2+ MolecularWeight: 316.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C18H25N3O2/c1-13-5-8-16(23-4)14(9-13)10-21(3)11-17(22)20-18(2,12-19)15-6-7-15/h5,8-9,15H,6-7,10-11H2,1-4H3,(H,20,22)/p+1/t18-/m1/s1