1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-N-[4-(3-methylphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)C)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)C)C

InChI

InChI=1S/C26H32N4O/c1-4-30-20(3)24(17-27-30)18-29-14-12-22(13-15-29)26(31)28-25-10-8-21(9-11-25)23-7-5-6-19(2)16-23/h5-11,16-17,22H,4,12-15,18H2,1-3H3,(H,28,31)/p+1