(E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-25-14-12-19(13-15-25)26(2)22(28)11-10-18-17-27(20-7-4-3-5-8-20)24-23(18)21-9-6-16-29-21/h3-11,16-17,19H,12-15H2,1-2H3/p+1/b11-10+