N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3,5-dimethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C26H32N4O2/c1-19-25(20(2)30(28-19)22-10-6-4-7-11-22)26(31)27-18-24(29-16-8-5-9-17-29)21-12-14-23(32-3)15-13-21/h4,6-7,10-15,24H,5,8-9,16-18H2,1-3H3,(H,27,31)/p+1/t24-/m0/s1