(E)-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-[3-[(2R)-2-methyl-1-piperidin-1-iumyl]propyl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CCCNC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-21-9-5-6-17-30(21)18-8-16-28-25(32)14-13-23-20-31(24-11-3-2-4-12-24)29-26(23)22-10-7-15-27-19-22/h2-4,7,10-15,19-21H,5-6,8-9,16-18H2,1H3,(H,28,32)/p+1/b14-13+/t21-/m1/s1