[(2S)-2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-25(2)13-16(14-8-4-3-5-9-14)24-18(26)12-23-21(27)20-19(22)15-10-6-7-11-17(15)28-20/h3-11,16H,12-13H2,1-2H3,(H,23,27)(H,24,26)/p+1/t16-/m1/s1