N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O/c1-26(24(29)21-17-25-28(18-21)22-11-6-3-7-12-22)23-13-8-15-27(19-23)16-14-20-9-4-2-5-10-20/h2-7,9-12,17-18,23H,8,13-16,19H2,1H3/p+1/t23-/m0/s1