2-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-phenyl-azaniumyl]ethyl-diethyl-methyl-azanium; methanolate; bromide

Systemtic Name: 2-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-phenyl-azaniumyl]ethyl-diethyl-methyl-azanium; methanolate; bromide Openeye Name: 2-[[3-(dimethylcarbamoyloxy)-2-pyridyl]methyl-phenyl-ammonio]ethyl-diethyl-methyl-ammonium; methanolate; bromide CAS Name: 2-[[3-[dimethylamino(oxo)methoxy]-2-pyridinyl]methyl-phenylammonio]ethyl-diethyl-methylammonium; methanolate; bromide IUPAC Name: 2-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-phenylazaniumyl]ethyl-diethyl-methylazanium; methanolate; bromide Traditional Name: 2-[[3-(dimethylcarbamoyloxy)-2-pyridyl]methyl-phenyl-ammonio]ethyl-diethyl-methyl-ammonium; methanolate; bromide Formula: C23H37BrN4O3 MolecularWeight: 497.46888

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC[NH+](CC1=C(C=CC=N1)OC(=O)N(C)C)C2=CC=CC=C2.C[O-].[Br-]

Isomeric SMILES

CC[N+](C)(CC)CC[NH+](CC1=C(C=CC=N1)OC(=O)N(C)C)C2=CC=CC=C2.C[O-].[Br-]

InChI

InChI=1S/C22H33N4O2.CH3O.BrH/c1-6-26(5,7-2)17-16-25(19-12-9-8-10-13-19)18-20-21(14-11-15-23-20)28-22(27)24(3)4;1-2;/h8-15H,6-7,16-18H2,1-5H3;1H3;1H/q+1;-1;