decyl-bis[5-[3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]pentyl]-ethyl-azanium bromide

Systemtic Name: decyl-bis[5-[3,4-dimethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]pentyl]-ethyl-azanium bromide Openeye Name: decyl-bis[5-(3,4-dimethyl-2,6-dioxo-pyrimidin-1-yl)pentyl]-ethyl-ammonium bromide CAS Name: decyl-bis[5-(3,4-dimethyl-2,6-dioxo-1-pyrimidinyl)pentyl]-ethylammonium bromide IUPAC Name: decyl-bis[5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)pentyl]-ethylazanium bromide Traditional Name: decyl-bis[5-(2,6-diketo-3,4-dimethyl-pyrimidin-1-yl)pentyl]-ethyl-ammonium bromide Formula: C34H60BrN5O4 MolecularWeight: 682.7753

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](CC)(CCCCCN1C(=O)C=C(N(C1=O)C)C)CCCCCN2C(=O)C=C(N(C2=O)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCC[N+](CC)(CCCCCN1C(=O)C=C(N(C1=O)C)C)CCCCCN2C(=O)C=C(N(C2=O)C)C.[Br-]

InChI

InChI=1S/C34H60N5O4.BrH/c1-7-9-10-11-12-13-14-19-24-39(8-2,25-20-15-17-22-37-31(40)27-29(3)35(5)33(37)42)26-21-16-18-23-38-32(41)28-30(4)36(6)34(38)43;/h27-28H,7-26H2,1-6H3;1H/q+1;/p-1