N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-ethoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C26H32N4O2/c1-4-32-25-7-5-6-21(17-25)18-29-14-12-22(13-15-29)26(31)27-23-8-10-24(11-9-23)30-20(3)16-19(2)28-30/h5-11,16-17,22H,4,12-15,18H2,1-3H3,(H,27,31)/p+1