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

Systemtic Name: 1-(2-bromanyl-4-propan-2-yl-phenyl)-4-(3-chlorophenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-N-ethyl-6-methyl-pyrimidin-1-ium-1-amine Openeye Name: 1-(2-bromo-4-isopropyl-phenyl)-4-(3-chlorophenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-N-ethyl-6-methyl-pyrimidin-1-ium-1-amine CAS Name: 1-(2-bromo-4-propan-2-ylphenyl)-4-(3-chlorophenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-N-ethyl-6-methyl-1-pyrimidin-1-iumamine IUPAC Name: 1-(2-bromo-4-propan-2-ylphenyl)-4-(3-chlorophenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-N-ethyl-6-methylpyrimidin-1-ium-1-amine Traditional Name: [1-(2-bromo-4-isopropyl-phenyl)-4-(3-chlorophenyl)-6-(3,4-dihydro-2H-pyridin-1-yl)-6-methyl-pyrimidin-1-ium-1-yl]-ethyl-amine Formula: C27H33BrClN4+ MolecularWeight: 528.93472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33BrClN4/c1-5-31-33(26-13-12-21(20(2)3)17-24(26)28)19-30-25(22-10-9-11-23(29)16-22)18-27(33,4)32-14-7-6-8-15-32/h7,9-14,16-20,31H,5-6,8,15H2,1-4H3/q+1