2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]ethyl-diisopropyl-ammonium Formula: C19H27ClN3O2S+ MolecularWeight: 396.95458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)CNC(=O)C1=C(C2=CC=CC=C2S1)Cl)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)CNC(=O)C1=C(C2=CC=CC=C2S1)Cl)C(C)C

InChI

InChI=1S/C19H26ClN3O2S/c1-12(2)23(13(3)4)10-9-21-16(24)11-22-19(25)18-17(20)14-7-5-6-8-15(14)26-18/h5-8,12-13H,9-11H2,1-4H3,(H,21,24)(H,22,25)/p+1