[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl]-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C16H20BrN2OS+ MolecularWeight: 368.3118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)C(C)C2=CC=CS2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)[C@@H](C)C2=CC=CS2)Br

InChI

InChI=1S/C16H19BrN2OS/c1-11-9-13(6-7-14(11)17)18-16(20)10-19(3)12(2)15-5-4-8-21-15/h4-9,12H,10H2,1-3H3,(H,18,20)/p+1/t12-/m0/s1