2-(4-bromanylphenoxy)ethyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-bromophenoxy)ethyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-bromophenoxy)ethyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium Traditional Name: 2-(4-bromophenoxy)ethyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C17H23BrN3O2+ MolecularWeight: 381.28742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H22BrN3O2/c1-17(12-19,13-3-4-13)20-16(22)11-21(2)9-10-23-15-7-5-14(18)6-8-15/h5-8,13H,3-4,9-11H2,1-2H3,(H,20,22)/p+1/t17-/m0/s1