(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C15H23N4O3S+ MolecularWeight: 339.43312

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC1=C(SC(=C1C#N)N)C(=O)OCC

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC1=C(SC(=C1C#N)N)C(=O)OCC

InChI

InChI=1S/C15H22N4O3S/c1-4-6-18-12(20)9-19(3)8-11-10(7-16)14(17)23-13(11)15(21)22-5-2/h4-6,8-9,17H2,1-3H3,(H,18,20)/p+1