(E)-3-(1-methylpyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]prop-2-enamide

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]prop-2-enamide Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]prop-2-enamide CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-2-propenamide IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]prop-2-enamide Traditional Name: (E)-3-(1-methylpyrazol-4-yl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]acrylamide Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C18H23N5O/c1-22-12-15(11-20-22)7-8-18(24)21-17-6-4-10-23(14-17)13-16-5-2-3-9-19-16/h2-3,5,7-9,11-12,17H,4,6,10,13-14H2,1H3,(H,21,24)/p+1/b8-7+/t17-/m0/s1