3-[(6-tert-butyl-3-chloranyl-1-benzothiophen-2-yl)carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-tert-butyl-3-chloranyl-1-benzothiophen-2-yl)carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[(6-tert-butyl-3-chloro-benzothiophene-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(6-tert-butyl-3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-tert-butyl-3-chloro-1-benzothiophene-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-tert-butyl-3-chloro-benzothiophene-2-carbonyl)amino]propyl-dimethyl-ammonium Formula: C18H26ClN2OS+ MolecularWeight: 353.92984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C(=C(S2)C(=O)NCCC[NH+](C)C)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C(=C(S2)C(=O)NCCC[NH+](C)C)Cl

InChI

InChI=1S/C18H25ClN2OS/c1-18(2,3)12-7-8-13-14(11-12)23-16(15(13)19)17(22)20-9-6-10-21(4)5/h7-8,11H,6,9-10H2,1-5H3,(H,20,22)/p+1