1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-ethyl-4-pyrazolyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-3-29-18-19(16-26-29)17-28-12-10-20(11-13-28)25(30)27-23-8-4-6-21(14-23)22-7-5-9-24(15-22)31-2/h4-9,14-16,18,20H,3,10-13,17H2,1-2H3,(H,27,30)/p+1