(2S)-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)CC=C

InChI

InChI=1S/C25H29N5O2/c1-3-14-30-18-20(19(2)28-30)17-29-15-8-7-11-23(29)25(31)27-21-12-13-24(26-16-21)32-22-9-5-4-6-10-22/h3-6,9-10,12-13,16,18,23H,1,7-8,11,14-15,17H2,2H3,(H,27,31)/p+1/t23-/m0/s1