(5-chloranyl-2-methoxy-phenyl)methyl-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C17H25ClN3O2+ MolecularWeight: 338.8523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O2/c1-12(2)17(3,11-19)20-16(22)10-21(4)9-13-8-14(18)6-7-15(13)23-5/h6-8,12H,9-10H2,1-5H3,(H,20,22)/p+1/t17-/m0/s1