[(1S)-2-[[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[6-(3-bromophenyl)-2-methyl-pyridine-3-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[6-(3-bromophenyl)-2-methyl-nicotinoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C21H23BrN3OS+ MolecularWeight: 445.39582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NC[C@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C21H22BrN3OS/c1-14-18(7-8-19(24-14)15-5-4-6-17(22)11-15)21(26)23-12-20(25(2)3)16-9-10-27-13-16/h4-11,13,20H,12H2,1-3H3,(H,23,26)/p+1/t20-/m1/s1