[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-(hexylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-(hexylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[2-(hexylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(hexylamino)-2-oxoethyl]-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(hexylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[2-(hexylamino)-2-keto-ethyl]-methyl-ammonium Formula: C18H29BrN3O2+ MolecularWeight: 399.34576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrN3O2/c1-4-5-6-7-10-20-17(23)12-22(3)13-18(24)21-16-9-8-15(19)11-14(16)2/h8-9,11H,4-7,10,12-13H2,1-3H3,(H,20,23)(H,21,24)/p+1