[(1R)-1-(4-bromophenyl)propyl]-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(1R)-1-(4-bromophenyl)propyl]-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [(1R)-1-(4-bromophenyl)propyl]-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]ammonium CAS Name: [(1R)-1-(4-bromophenyl)propyl]-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]ammonium IUPAC Name: [(1R)-1-(4-bromophenyl)propyl]-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]azanium Traditional Name: [(1R)-1-(4-bromophenyl)propyl]-[2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]ammonium Formula: C18H18BrClN3O+ MolecularWeight: 407.71202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)[NH2+]CC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)[NH2+]CC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C18H17BrClN3O/c1-2-16(12-3-6-14(19)7-4-12)22-11-18(24)23-17-9-15(20)8-5-13(17)10-21/h3-9,16,22H,2,11H2,1H3,(H,23,24)/p+1/t16-/m1/s1