[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-[[(2R)-heptan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-[[(2R)-heptan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-[2-[[(1R)-1-methylhexyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[2-keto-2-[[(1R)-1-methylhexyl]amino]ethyl]-methyl-ammonium Formula: C19H31BrN3O2+ MolecularWeight: 413.37234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C[NH+](C)CC(=O)NC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCCCC[C@@H](C)NC(=O)C[NH+](C)CC(=O)NC1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C19H30BrN3O2/c1-5-6-7-8-15(3)21-18(24)12-23(4)13-19(25)22-17-10-9-16(20)11-14(17)2/h9-11,15H,5-8,12-13H2,1-4H3,(H,21,24)(H,22,25)/p+1/t15-/m1/s1