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

Systemtic Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [2-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+](C)CC3=CN(N=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[NH+](C)CC3=CN(N=C3)C

InChI

InChI=1S/C22H26N4O3S/c1-5-29-22(28)20-19(17-9-7-6-8-10-17)15(2)30-21(20)24-18(27)14-25(3)12-16-11-23-26(4)13-16/h6-11,13H,5,12,14H2,1-4H3,(H,24,27)/p+1