(E)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(4-pyridylmethyl)-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(4-pyridylmethyl)-3-(2-thienyl)acrylamide Formula: C25H36N4OS+2 MolecularWeight: 440.64454

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)CN(CC3=CC=NC=C3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)CN(CC3=CC=NC=C3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C25H34N4OS/c1-27-14-10-23(11-15-27)28-16-8-22(9-17-28)20-29(19-21-6-12-26-13-7-21)25(30)5-4-24-3-2-18-31-24/h2-7,12-13,18,22-23H,8-11,14-17,19-20H2,1H3/p+2/b5-4+