(E)-N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-(2-pyridyl)-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-3-(2-pyridinyl)-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-(2-pyridyl)-N-(3-pyridylmethyl)acrylamide Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CN=CC=C3)C(=O)C=CC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CN=CC=C3)C(=O)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C26H34N4O/c31-26(14-13-24-10-4-5-16-28-24)30(19-22-8-6-15-27-18-22)21-23-9-7-17-29(20-23)25-11-2-1-3-12-25/h4-6,8,10,13-16,18,23,25H,1-3,7,9,11-12,17,19-21H2/p+1/b14-13+/t23-/m0/s1