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

Systemtic Name: [(1S)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C21H24ClN2OS+ MolecularWeight: 387.94606

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=C(C2=CC=CC=C2S1)Cl)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=C(C2=CC=CC=C2S1)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2OS/c1-3-24(4-2)17(15-10-6-5-7-11-15)14-23-21(25)20-19(22)16-12-8-9-13-18(16)26-20/h5-13,17H,3-4,14H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1