1-(2-bromanyl-4-propan-2-yl-phenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-N-ethyl-6-methyl-4-thiophen-2-yl-pyrimidin-1-ium-1-amine

Systemtic Name: 1-(2-bromanyl-4-propan-2-yl-phenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-N-ethyl-6-methyl-4-thiophen-2-yl-pyrimidin-1-ium-1-amine Openeye Name: 1-(2-bromo-4-isopropyl-phenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-N-ethyl-6-methyl-4-(2-thienyl)pyrimidin-1-ium-1-amine CAS Name: 1-(2-bromo-4-propan-2-ylphenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-N-ethyl-6-methyl-4-thiophen-2-yl-1-pyrimidin-1-iumamine IUPAC Name: 1-(2-bromo-4-propan-2-ylphenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-N-ethyl-6-methyl-4-thiophen-2-ylpyrimidin-1-ium-1-amine Traditional Name: [1-(2-bromo-4-isopropyl-phenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-6-methyl-4-(2-thienyl)pyrimidin-1-ium-1-yl]-ethyl-amine Formula: C25H32BrN4S+ MolecularWeight: 500.51738

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+]1(C=NC(=CC1(C)N2CCCC=C2)C3=CC=CS3)C4=C(C=C(C=C4)C(C)C)Br

Isomeric SMILES

CCN[N+]1(C=NC(=CC1(C)N2CCCC=C2)C3=CC=CS3)C4=C(C=C(C=C4)C(C)C)Br

InChI

InChI=1S/C25H32BrN4S/c1-5-28-30(23-12-11-20(19(2)3)16-21(23)26)18-27-22(24-10-9-15-31-24)17-25(30,4)29-13-7-6-8-14-29/h7,9-13,15-19,28H,5-6,8,14H2,1-4H3/q+1