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

Systemtic Name: (4-chlorophenyl)methyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-chlorophenyl)methyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-chlorophenyl)methyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (4-chlorophenyl)methyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium Traditional Name: (4-chlorobenzyl)-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C16H21ClN3O+ MolecularWeight: 306.81044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O/c1-16(11-18,13-5-6-13)19-15(21)10-20(2)9-12-3-7-14(17)8-4-12/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,19,21)/p+1/t16-/m0/s1