N-[3-(3-fluorophenyl)phenyl]-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(3-fluorophenyl)phenyl]-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-fluorophenyl)phenyl]-1-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-fluorophenyl)phenyl]-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H30FN4O+ MolecularWeight: 433.541003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F)CC=C

InChI

InChI=1S/C26H29FN4O/c1-3-12-31-18-23(19(2)29-31)17-30-13-10-20(11-14-30)26(32)28-25-9-5-7-22(16-25)21-6-4-8-24(27)15-21/h3-9,15-16,18,20H,1,10-14,17H2,2H3,(H,28,32)/p+1