(5-ethoxycarbonyl-1-benzothiophen-3-yl)methyl-diethyl-azanium

Systemtic Name: (5-ethoxycarbonyl-1-benzothiophen-3-yl)methyl-diethyl-azanium Openeye Name: (5-ethoxycarbonylbenzothiophen-3-yl)methyl-diethyl-ammonium CAS Name: (5-ethoxycarbonyl-1-benzothiophen-3-yl)methyl-diethylammonium IUPAC Name: (5-ethoxycarbonyl-1-benzothiophen-3-yl)methyl-diethylazanium Traditional Name: (5-carbethoxybenzothiophen-3-yl)methyl-diethyl-ammonium Formula: C16H22NO2S+ MolecularWeight: 292.41638

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CSC2=C1C=C(C=C2)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC1=CSC2=C1C=C(C=C2)C(=O)OCC

InChI

InChI=1S/C16H21NO2S/c1-4-17(5-2)10-13-11-20-15-8-7-12(9-14(13)15)16(18)19-6-3/h7-9,11H,4-6,10H2,1-3H3/p+1