[2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [2-[(3-carbethoxy-5-ethyl-2-thienyl)amino]-2-keto-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+](C)CC2=CN(N=C2)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+](C)CC2=CN(N=C2)C)C(=O)OCC

InChI

InChI=1S/C17H24N4O3S/c1-5-13-7-14(17(23)24-6-2)16(25-13)19-15(22)11-20(3)9-12-8-18-21(4)10-12/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,22)/p+1