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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-(butylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-[2-(butylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(butylamino)-2-oxoethyl]-methylammonium IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(butylamino)-2-oxoethyl]-methylazanium Traditional Name: [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-[2-(butylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H25BrN3O2+ MolecularWeight: 371.2926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrN3O2/c1-4-5-8-18-15(21)10-20(3)11-16(22)19-14-7-6-13(17)9-12(14)2/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,18,21)(H,19,22)/p+1