3-(3,4-dimethoxyphenyl)-1-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]pyrazole-4-carboxamide Formula: C26H28N5O3S+ MolecularWeight: 490.59722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NC(=CS3)C[NH+]4CCCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NC(=CS3)C[NH+]4CCCC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H27N5O3S/c1-33-22-11-10-18(14-23(22)34-2)24-21(16-31(29-24)20-8-4-3-5-9-20)25(32)28-26-27-19(17-35-26)15-30-12-6-7-13-30/h3-5,8-11,14,16-17H,6-7,12-13,15H2,1-2H3,(H,27,28,32)/p+1