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(6-ethoxycarbonyl-3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

(6-ethoxycarbonyl-3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name:(6-ethoxycarbonyl-3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium
Openeye Name:(6-ethoxycarbonyl-3-ethyl-2-thioxo-benzimidazol-1-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium
CAS Name:(6-ethoxycarbonyl-3-ethyl-2-sulfanylidene-1-benzimidazolyl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium
IUPAC Name:(6-ethoxycarbonyl-3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium
Traditional Name:(6-carbethoxy-3-ethyl-2-thioxo-benzimidazol-1-yl)methyl-[2-keto-2-(propylamino)ethyl]-methyl-ammonium
Formula: C19H29N4O3S+
MolecularWeight: 393.52356
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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CN1C2=C(C=CC(=C2)C(=O)OCC)N(C1=S)CC


Isomeric SMILES

CCCNC(=O)C[NH+](C)CN1C2=C(C=CC(=C2)C(=O)OCC)N(C1=S)CC


InChI

InChI=1S/C19H28N4O3S/c1-5-10-20-17(24)12-21(4)13-23-16-11-14(18(25)26-7-3)8-9-15(16)22(6-2)19(23)27/h8-9,11H,5-7,10,12-13H2,1-4H3,(H,20,24)/p+1


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