1-[(3R)-3-(5-methylfuran-2-yl)butyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3R)-3-(5-methylfuran-2-yl)butyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3R)-3-(5-methyl-2-furyl)butyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3R)-3-(5-methyl-2-furanyl)butyl]-N-[4-(1-pyrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3R)-3-(5-methylfuran-2-yl)butyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3R)-3-(5-methyl-2-furyl)butyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)CC[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC=C(O1)[C@H](C)CC[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C24H30N4O2/c1-18(23-9-4-19(2)30-23)10-15-27-16-11-20(12-17-27)24(29)26-21-5-7-22(8-6-21)28-14-3-13-25-28/h3-9,13-14,18,20H,10-12,15-17H2,1-2H3,(H,26,29)/p+1/t18-/m1/s1