[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium Openeye Name: [2-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: [2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-cyclohexyl-methylammonium IUPAC Name: [2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-cyclohexyl-methylazanium Traditional Name: [2-[[2-(2-bromoanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C18H27BrN3O2+ MolecularWeight: 397.32988

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)N(C)CC(=O)NC1=CC=CC=C1Br)C2CCCCC2

Isomeric SMILES

C[NH+](CC(=O)N(C)CC(=O)NC1=CC=CC=C1Br)C2CCCCC2

InChI

InChI=1S/C18H26BrN3O2/c1-21(14-8-4-3-5-9-14)13-18(24)22(2)12-17(23)20-16-11-7-6-10-15(16)19/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3,(H,20,23)/p+1