2-(3-azanyl-4-methyl-phenyl)ethyl-bis[3-[methanoyl(methyl)amino]propyl]-methyl-azanium bromide

Systemtic Name: 2-(3-azanyl-4-methyl-phenyl)ethyl-bis[3-[methanoyl(methyl)amino]propyl]-methyl-azanium bromide Openeye Name: 2-(3-amino-4-methyl-phenyl)ethyl-bis[3-[formyl(methyl)amino]propyl]-methyl-ammonium bromide CAS Name: 2-(3-amino-4-methylphenyl)ethyl-bis[3-[formyl(methyl)amino]propyl]-methylammonium bromide IUPAC Name: 2-(3-amino-4-methylphenyl)ethyl-bis[3-[formyl(methyl)amino]propyl]-methylazanium bromide Traditional Name: 2-(3-amino-4-methyl-phenyl)ethyl-bis[3-[formyl(methyl)amino]propyl]-methyl-ammonium bromide Formula: C20H35BrN4O2 MolecularWeight: 443.4215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC[N+](C)(CCCN(C)C=O)CCCN(C)C=O)N.[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)CC[N+](C)(CCCN(C)C=O)CCCN(C)C=O)N.[Br-]

InChI

InChI=1S/C20H35N4O2.BrH/c1-18-7-8-19(15-20(18)21)9-14-24(4,12-5-10-22(2)16-25)13-6-11-23(3)17-26;/h7-8,15-17H,5-6,9-14,21H2,1-4H3;1H/q+1;/p-1