[[3-ethoxycarbonyl-5-[(Z)-(3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methyl]thiophen-2-yl]amino]methylidene-dimethyl-azanium

Systemtic Name: [[3-ethoxycarbonyl-5-[(Z)-(3-methylidene-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methyl]thiophen-2-yl]amino]methylidene-dimethyl-azanium Openeye Name: [[3-ethoxycarbonyl-5-[(Z)-(3-methylene-5-oxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-thienyl]amino]methylene-dimethyl-ammonium CAS Name: [[3-ethoxycarbonyl-5-[(Z)-(3-methylene-5-oxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-thiophenyl]amino]methylidene-dimethylammonium IUPAC Name: [[3-ethoxycarbonyl-5-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]thiophen-2-yl]amino]methylidene-dimethylazanium Traditional Name: [[3-carbethoxy-5-[(Z)-(5-keto-3-methylene-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-thienyl]amino]methylene-dimethyl-ammonium Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C=C2C(=C)NN(C2=O)C3=CC=CC=C3)NC=[N+](C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)/C=C\2/C(=C)NN(C2=O)C3=CC=CC=C3)NC=[N+](C)C

InChI

InChI=1S/C21H22N4O3S/c1-5-28-21(27)18-12-16(29-19(18)22-13-24(3)4)11-17-14(2)23-25(20(17)26)15-9-7-6-8-10-15/h6-13,23H,2,5H2,1,3-4H3/p+1/b17-11-