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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

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