1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

InChI

InChI=1S/C23H29N5OS/c1-3-9-28-14-20(17(2)26-28)13-27-10-7-18(8-11-27)23(29)25-21-6-4-5-19(12-21)22-15-30-16-24-22/h4-6,12,14-16,18H,3,7-11,13H2,1-2H3,(H,25,29)/p+1